data_6xeh_residue ############################ # Computer software used # ############################ 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 6xeh _Structure_validation_residue.Date_analyzed 2020-07-31 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 ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 120.555 0.217 . . . . 72.11 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.96 120.89 37.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.004 -1.11 . . . . 73.33 108.004 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.2 t -124.24 117.41 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.454 -0.572 . . . . 75.44 109.454 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -88.63 146.96 24.79 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 75.15 109.844 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.5 tp -135.61 130.36 34.3 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.01 1.324 . . . . 74.52 108.462 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 38.1 t -156.09 138.81 15.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.627 0.771 . . . . 71.41 109.207 170.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.4 -21.17 60.56 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.949 0.9 . . . . 72.33 111.04 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -101.47 134.2 44.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.663 0.785 . . . . 75.31 110.509 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.09 -46.51 74.02 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.026 0.93 . . . . 75.14 112.33 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.48 -24.82 67.99 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.75 0.42 . . . . 73.53 112.061 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 101' ' ' LYS . 29.3 mm -68.95 -51.91 39.62 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 N-CA-C 109.141 -0.689 . . . . 74.25 109.141 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -54.77 -39.49 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.709 1.204 . . . . 74.34 111.371 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.51 -41.56 96.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.8 0.84 . . . . 75.02 111.365 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.639 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 43.9 mm-40 -74.46 -37.06 63.33 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.799 0.687 . . . . 74.22 112.083 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 108' ' ' VAL . 78.1 t -68.09 -40.95 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.272 0.629 . . . . 74.33 110.515 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 t -67.07 -31.54 72.11 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.542 -0.754 . . . . 64.23 110.578 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.8 tppt? -71.23 -44.92 64.39 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.228 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -60.45 -39.39 87.37 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.18 0.592 . . . . 75.21 110.679 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.59 -26.14 66.12 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.724 -0.671 . . . . 65.44 111.542 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.0 -53.51 8.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.413 0.685 . . . . 63.41 110.399 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 12.9 mm-40 -55.52 -49.78 71.73 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.778 0.831 . . . . 71.52 111.774 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.49 -20.48 29.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.701 0.8 . . . . 72.42 112.275 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 38.13 47.74 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.526 -0.23 . . . . 72.13 112.526 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -83.34 143.86 30.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 73.44 111.298 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.87 107.87 16.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.238 1.015 . . . . 74.4 109.446 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 21' ' ' ALA . 22.2 mt -136.44 143.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.216 0.606 . . . . 71.23 109.475 174.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -105.55 114.52 28.73 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.269 -1.011 . . . . 73.32 108.269 165.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -96.91 132.93 42.18 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.583 -0.525 . . . . 75.12 109.583 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -131.66 149.63 52.43 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.101 0.96 . . . . 63.03 109.355 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.2 t-20 -101.19 -28.68 12.53 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.337 0.655 . . . . 74.34 110.74 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.82 120.07 36.48 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.515 0.726 . . . . 62.2 111.404 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HD3' ' HB3' ' A' ' 58' ' ' SER . 13.2 ptpt -69.18 -33.65 73.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.981 0.913 . . . . 74.3 112.98 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.39 -36.7 81.86 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.056 0.543 . . . . 75.22 110.533 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 23.3 tt0 -58.14 -50.3 73.99 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 114.955 -1.02 . . . . 70.3 109.587 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.95 -38.23 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 114.776 -1.102 . . . . 75.32 111.656 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 98.4 mt -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.459 0.703 . . . . 65.31 110.069 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 29.1 t70 -74.46 -31.05 62.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.224 0.609 . . . . 70.33 111.721 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.4 mtp180 -70.74 -34.37 71.8 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.166 0.508 . . . . 74.34 110.001 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.52 -26.42 55.22 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.19 -0.914 . . . . 65.2 110.833 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 10.3 mtpm? -64.78 -34.51 78.52 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.251 0.62 . . . . 72.42 110.566 170.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -85.6 -7.92 58.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.3 0.64 . . . . 74.35 111.163 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.32 21.73 10.01 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 125.077 1.351 . . . . 74.4 111.734 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -88.08 11.6 15.73 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.96 0.904 . . . . 71.54 112.581 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.518 HG23 ' HB ' ' A' ' 49' ' ' ILE . 49.2 mt -110.52 122.87 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.369 -0.975 . . . . 71.14 108.369 169.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.06 -39.28 23.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.272 0.629 . . . . 71.02 110.671 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.661 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 13.9 ptm -151.28 135.16 16.51 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.042 0.937 . . . . 65.12 108.903 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.518 ' HB ' HG23 ' A' ' 46' ' ' ILE . 9.4 tt -134.63 148.74 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.36 0.664 . . . . 72.34 110.343 -169.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG21 HG23 ' A' ' 108' ' ' VAL . 56.6 mt -133.1 119.11 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.023 -1.103 . . . . 72.34 108.023 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 62' ' ' ILE . 58.9 t -115.51 114.87 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.488 0.715 . . . . 71.32 109.796 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -107.43 112.9 25.91 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.914 0.885 . . . . 73.01 109.401 173.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -174.84 162.88 3.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.556 1.142 . . . . 73.04 109.124 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.03 -8.56 30.11 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.466 0.707 . . . . 74.15 109.938 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.12 95.92 1.02 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 73.33 109.897 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -56.25 -30.2 62.1 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.848 1.259 . . . . 75.32 112.234 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.93 -47.77 84.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.119 0.967 . . . . 75.31 111.425 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 68.7 p -71.37 -48.31 50.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.852 0.461 . . . . 72.24 110.394 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.2 mt -51.04 -54.41 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 123.898 0.749 . . . . 75.25 110.656 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.34 -58.02 9.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 62.44 111.482 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 53.7 mm-40 -64.02 -42.73 97.03 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.598 0.592 . . . . 73.44 112.598 -172.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 51' ' ' VAL . 1.6 mp -57.17 -49.08 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 123.537 0.523 . . . . 73.4 110.164 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 75' ' ' ILE . 86.9 mt -58.57 -42.93 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 122.669 0.388 . . . . 74.43 110.687 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -62.56 -30.88 71.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.826 0.85 . . . . 75.25 111.142 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.1 mm100 -77.75 -30.72 51.71 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.825 -0.625 . . . . 74.02 111.618 173.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.566 HG13 ' HB ' ' A' ' 73' ' ' VAL . 79.7 t -74.05 -30.61 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 122.965 0.506 . . . . 73.33 110.655 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.4 mt -62.27 -40.62 96.84 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.58 -0.526 . . . . 74.23 109.58 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.62 -42.1 91.93 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.253 -0.885 . . . . 73.33 110.852 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.48 ' HG ' ' HA ' ' A' ' 66' ' ' VAL . 78.8 p -80.41 -24.86 39.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.809 0.444 . . . . 72.44 112.135 -173.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.59 25.96 74.86 Favored Glycine 0 C--N 1.348 1.23 0 O-C-N 123.234 0.334 . . . . 52.12 112.646 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.505 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -84.62 172.2 11.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.755 . . . . 63.42 111.217 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.661 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -84.57 139.34 32.17 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.815 -1.18 . . . . 73.14 107.815 170.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 93' ' ' VAL . 4.6 p -136.17 130.85 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.146 0.578 . . . . 75.31 110.567 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.46 113.88 22.02 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.166 0.986 . . . . 63.44 108.805 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.504 ' HB ' HG21 ' A' ' 95' ' ' THR . 48.6 mm -97.67 125.61 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 123.479 0.712 . . . . 74.1 109.544 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 122.49 38.26 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.853 1.261 . . . . 74.44 108.257 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.6 p -146.56 152.55 39.13 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.641 -0.504 . . . . 54.24 109.641 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.5 t -67.33 -33.27 74.91 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.801 0.84 . . . . 74.1 110.684 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -91.23 122.64 34.03 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-N 115.202 -0.908 . . . . 72.3 111.045 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -72.28 -23.2 61.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.597 -1.183 . . . . 62.23 111.304 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -74.81 -33.85 62.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.992 -0.744 . . . . 74.55 108.992 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.412 HG12 ' HE2' ' A' ' 56' ' ' LYS . 80.9 mt -64.3 -54.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 N-CA-C 109.191 -0.67 . . . . 73.05 109.191 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.538 HG22 ' HB ' ' A' ' 95' ' ' THR . 31.2 mm -51.1 -53.75 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 124.179 0.924 . . . . 70.15 110.572 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 -38.17 90.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.771 0.828 . . . . 73.52 111.967 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 m -59.16 -42.82 91.68 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.498 0.319 . . . . 71.53 110.707 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.582 HG23 HG13 ' A' ' 93' ' ' VAL . 46.3 mm -69.17 -31.66 50.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.776 -0.647 . . . . 73.15 110.817 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 72.2 mtp85 -70.19 -46.44 64.59 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.979 0.512 . . . . 73.14 111.755 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -74.33 -30.41 62.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.533 0.333 . . . . 70.21 111.395 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -76.79 -41.66 43.65 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.808 0.443 . . . . 73.32 110.799 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 93' ' ' VAL . 34.9 m-85 -125.23 104.22 29.14 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 123.451 0.7 . . . . 70.14 109.143 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.51 -29.77 24.5 Favored 'Trans proline' 0 C--N 1.368 1.569 0 C-N-CA 122.18 1.92 . . . . 74.11 113.497 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -85.82 -6.63 59.07 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.714 1.005 . . . . 75.01 113.714 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.687 HG23 HG11 ' A' ' 73' ' ' VAL . 12.4 p -75.69 141.94 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.097 0.408 . . . . 74.5 110.328 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.457 ' HG3' ' HE1' ' A' ' 111' ' ' PHE . 9.9 mm-40 -85.31 127.18 34.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 106.658 -1.608 . . . . 74.13 106.658 167.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.538 ' HB ' HG22 ' A' ' 83' ' ' ILE . 3.2 p -135.85 140.53 44.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.868 0.467 . . . . 65.04 109.819 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HD2' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -153.85 138.0 16.5 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.559 -0.904 . . . . 70.41 108.559 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -77.54 119.87 21.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.648 -0.871 . . . . 73.42 108.648 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.03 105.17 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.22 -1.03 . . . . 71.43 108.22 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -94.6 -53.01 4.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.769 -0.826 . . . . 73.24 108.769 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.62 154.38 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.215 -0.902 . . . . 72.01 109.129 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.554 ' HB3' HD11 ' A' ' 13' ' ' ILE . 41.4 pttt -63.55 -20.35 65.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.353 1.061 . . . . 74.42 112.362 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.615 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 53.7 mm-40 -62.37 -50.2 72.49 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.439 0.696 . . . . 74.33 110.934 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.33 -33.19 74.98 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.087 -0.961 . . . . 73.43 112.019 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.407 HG21 HD12 ' A' ' 13' ' ' ILE . 46.5 t -65.5 -57.28 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.595 -0.73 . . . . 65.44 110.138 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.639 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.4 pttt -65.96 -32.14 73.45 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.343 0.402 . . . . 75.13 111.669 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.89 -53.42 58.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.567 0.747 . . . . 73.53 111.058 170.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.42 ' HB2' ' HD2' ' A' ' 96' ' ' ARG . . . -61.25 -38.86 88.19 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.998 0.811 . . . . 72.54 111.383 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 17' ' ' VAL . 55.2 t -60.42 -48.23 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.424 -0.807 . . . . 73.01 109.654 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.16 -47.75 83.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.506 -0.77 . . . . 74.05 111.514 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -61.03 -37.01 81.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.924 0.89 . . . . 72.42 111.221 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' HE1' ' HG3' ' A' ' 94' ' ' GLU . 47.3 t80 -64.3 -42.5 96.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.384 -1.28 . . . . 73.14 110.087 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -79.44 -33.57 42.35 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.542 -0.754 . . . . 74.3 112.981 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -59.33 -44.92 92.55 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.21 0.529 . . . . 74.25 110.503 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 CA--C 1.547 0.837 0 CA-C-N 114.889 -1.051 . . . . 73.11 111.888 -176.425 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 tptt . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.24 -0.281 . . . . 72.23 110.24 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -87.36 127.91 40.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 124.685 1.241 . . . . 71.53 109.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 29' ' ' GLN . 74.7 t -131.43 123.32 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 108.458 -0.941 . . . . 60.51 108.458 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 30' ' ' THR . 70.6 t80 -102.59 131.24 49.47 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.169 -0.678 . . . . 73.45 109.169 173.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -124.09 140.72 52.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.479 1.112 . . . . 74.32 108.468 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 m -148.02 156.04 42.19 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.996 -0.742 . . . . 74.34 108.996 164.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.72 -25.82 41.03 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.472 -0.785 . . . . 64.42 109.255 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.48 143.3 28.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.643 0.777 . . . . 73.41 111.138 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -76.3 -46.33 28.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.044 0.938 . . . . 64.32 112.258 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.19 -29.58 70.47 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.721 0.408 . . . . 62.04 111.968 -173.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.466 HD13 HG22 ' A' ' 104' ' ' VAL . 36.5 mm -62.6 -49.18 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 O-C-N 123.745 0.653 . . . . 74.22 110.086 172.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.44 -37.33 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.374 1.07 . . . . 75.21 111.832 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.0 -37.65 86.47 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.325 0.65 . . . . 73.33 110.791 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.585 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 60.2 mm-40 -67.36 -47.94 68.93 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.96 0.904 . . . . 74.41 111.779 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 105' ' ' LYS . 76.1 t -66.88 -39.02 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.545 -0.752 . . . . 75.42 111.152 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 t -73.4 -30.59 63.35 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.294 0.638 . . . . 70.51 110.8 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.3 tppt? -66.39 -50.47 63.35 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.46 -0.571 . . . . 74.05 109.46 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -65.01 -33.19 75.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.094 0.558 . . . . 74.3 111.158 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.54 72.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.276 0.631 . . . . 74.41 111.218 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.61 -50.02 28.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.632 0.773 . . . . 70.33 110.474 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 14.3 mm-40 -59.46 -39.46 83.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.69 . . . . 63.32 111.86 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -92.48 -12.38 32.19 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.933 -0.576 . . . . 71.25 112.517 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.15 17.9 77.41 Favored Glycine 0 N--CA 1.47 0.926 0 O-C-N 123.195 0.31 . . . . 64.13 113.514 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.535 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 25.8 m-85 -69.45 114.51 7.75 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 122.799 0.44 . . . . 73.54 110.237 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.53 105.25 7.48 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.89 -0.781 . . . . 74.45 108.89 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.3 mt -127.36 128.84 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.818 0.847 . . . . 71.24 109.355 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.56 ' HB3' HG21 ' A' ' 5' ' ' VAL . 19.0 tp60 -77.59 106.53 9.43 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.922 -1.14 . . . . 73.11 107.922 167.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.433 HG21 ' HB3' ' A' ' 6' ' ' PHE . 24.2 p -98.96 141.2 32.03 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.31 0.644 . . . . 73.32 109.282 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.498 ' HB3' HD13 ' A' ' 37' ' ' ILE . 41.9 t -155.57 140.34 17.1 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.629 0.772 . . . . 75.21 110.289 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -83.03 -42.55 17.37 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.965 0.906 . . . . 65.41 109.702 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.89 110.3 7.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.272 -0.876 . . . . 73.42 110.771 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.52 -31.11 72.18 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.859 -1.064 . . . . 72.34 112.019 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.25 -32.31 72.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.81 0.444 . . . . 73.42 111.098 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 16.6 tp10 -60.47 -50.25 74.31 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.697 0.799 . . . . 74.55 109.469 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' A' ' 31' ' ' SER . 44.9 mm -68.58 -39.84 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.235 -0.893 . . . . 74.31 112.574 -172.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.442 HG22 ' HG3' ' A' ' 65' ' ' GLN . 92.2 mt -58.49 -39.34 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.592 0.757 . . . . 75.45 109.683 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 13.3 t70 -68.67 -36.91 79.16 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.734 -1.121 . . . . 73.34 110.997 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 39.7 mtp85 -70.39 -31.79 69.18 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.997 0.519 . . . . 73.13 110.916 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.79 -33.08 73.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.778 0.831 . . . . 74.22 110.606 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 39' ' ' ASP . 67.1 mttm -63.63 -39.13 93.59 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.216 0.606 . . . . 74.42 110.752 171.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 24.7 mtt180 -76.48 -18.14 58.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.127 0.571 . . . . 74.31 110.301 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 69.55 22.91 6.12 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.613 1.565 . . . . 73.43 111.26 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.414 ' OD1' ' HD2' ' A' ' 43' ' ' ARG . 12.2 m120 -64.21 -24.74 67.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.996 0.918 . . . . 63.31 111.988 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 HG21 ' HB ' ' A' ' 49' ' ' ILE . 25.9 mt -96.36 133.43 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.706 0.803 . . . . 74.03 110.01 -171.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.32 -45.43 6.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.468 0.651 . . . . 63.43 109.9 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -138.87 132.74 30.96 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.075 -0.966 . . . . 75.24 109.088 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.2 tt -139.02 142.66 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.48 0.712 . . . . 75.22 109.44 -172.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.502 HD13 HG11 ' A' ' 108' ' ' VAL . 63.8 mt -129.18 122.11 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.97 -1.122 . . . . 75.02 107.97 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 62' ' ' ILE . 58.4 t -118.24 120.95 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.622 0.769 . . . . 74.4 109.657 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -110.15 107.07 16.75 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.09 -0.708 . . . . 74.53 109.09 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.413 ' O ' HD13 ' A' ' 59' ' ' ILE . 9.1 t -164.84 156.84 15.73 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.344 1.058 . . . . 72.31 108.352 170.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' HD11 ' A' ' 82' ' ' ILE . 1.7 mp0 -93.45 -16.11 24.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.688 0.795 . . . . 71.32 109.992 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.23 96.82 0.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.316 0.646 . . . . 70.3 109.299 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.621 ' HB2' ' HZ3' ' A' ' 56' ' ' LYS . 9.5 mtmp? -56.05 -31.61 63.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.318 1.047 . . . . 74.01 112.919 -175.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -73.12 -37.37 66.69 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.417 0.687 . . . . 74.13 111.236 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.2 p -74.04 -43.75 56.73 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.837 0.455 . . . . 53.53 110.138 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.431 HG21 HD13 ' A' ' 75' ' ' ILE . 88.4 mt -51.75 -47.49 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.193 0.933 . . . . 75.54 109.875 173.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -52.23 -52.91 49.61 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.284 -1.325 . . . . 70.14 112.087 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.3 -49.62 76.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.432 0.693 . . . . 64.32 111.456 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.512 HG23 HG22 ' A' ' 51' ' ' VAL . 1.9 mp -58.31 -50.71 77.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.67 0.606 . . . . 71.3 110.417 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.532 HD11 HG13 ' A' ' 75' ' ' ILE . 69.0 mt -59.13 -41.01 82.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 O-C-N 123.446 0.466 . . . . 64.11 110.879 -178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -57.81 -41.02 81.3 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.095 0.558 . . . . 73.34 110.934 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 38' ' ' ILE . 13.3 mm100 -69.65 -33.57 72.78 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 123.652 0.595 . . . . 75.25 111.32 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 71' ' ' ALA . 90.6 t -76.99 -28.57 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 C-N-CA 123.657 0.783 . . . . 73.23 111.127 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -68.46 -43.33 77.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.202 -1.036 . . . . 70.1 108.202 173.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.29 -41.94 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.149 -1.387 . . . . 75.13 111.461 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -88.51 -16.52 32.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 65.23 112.456 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.37 42.21 83.1 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.265 0.353 . . . . 74.1 113.558 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -103.88 174.97 5.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.697 0.799 . . . . 75.15 111.985 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 135.79 33.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.912 0.885 . . . . 75.41 108.654 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.706 HG12 HG23 ' A' ' 93' ' ' VAL . 7.1 p -144.09 139.38 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 122.646 0.379 . . . . 72.44 111.365 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.3 tp -118.59 116.6 26.95 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 108.188 -1.042 . . . . 73.14 108.188 173.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.547 ' HB ' HG23 ' A' ' 95' ' ' THR . 46.2 mm -97.25 122.88 49.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.228 -0.656 . . . . 73.1 109.228 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.79 129.64 56.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.345 1.058 . . . . 65.34 108.4 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.6 m -143.07 139.54 30.54 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.099 -1.075 . . . . 64.33 108.099 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 p -64.39 -26.93 68.68 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 122.971 0.508 . . . . 73.11 110.919 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -95.94 121.34 37.58 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.029 -0.987 . . . . 63.43 110.017 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 13.4 pt-20 -83.4 -13.79 54.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.75 0.82 . . . . 71.42 112.564 -174.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -30.16 48.6 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.036 -0.727 . . . . 73.33 109.036 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.535 HG22 ' HG2' ' A' ' 56' ' ' LYS . 66.2 mt -67.38 -49.33 72.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 115.042 -0.981 . . . . 75.54 109.014 168.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 27.2 mm -53.35 -41.89 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 123.477 0.485 . . . . 73.12 111.351 173.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.72 -45.97 90.25 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.153 0.981 . . . . 74.35 110.309 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -61.02 -38.62 86.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.032 0.933 . . . . 74.21 111.569 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.0 mm -69.39 -34.11 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.467 0.707 . . . . 74.41 111.146 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 18.2 mtm180 -75.98 -30.28 58.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.565 0.346 . . . . 74.44 111.802 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -88.47 -32.46 18.24 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 111.956 0.354 . . . . 75.32 111.956 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -77.07 -42.55 37.85 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.923 0.489 . . . . 71.11 110.076 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.512 ' O ' HG11 ' A' ' 93' ' ' VAL . 10.0 m-85 -119.7 95.88 49.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 107.658 -1.238 . . . . 74.1 107.658 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.19 -26.68 35.93 Favored 'Trans proline' 0 C--N 1.363 1.296 0 C-N-CA 122.048 1.832 . . . . 74.24 113.445 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.01 7.86 44.75 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.659 0.985 . . . . 74.24 113.659 -170.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.706 HG23 HG12 ' A' ' 73' ' ' VAL . 9.7 p -90.88 132.22 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 118.227 0.467 . . . . 72.43 110.444 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.35 131.65 41.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.547 HG23 ' HB ' ' A' ' 75' ' ' ILE . 80.7 p -136.47 161.82 34.78 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.301 0.64 . . . . 71.44 110.054 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -159.31 139.4 11.96 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.173 -1.047 . . . . 74.54 108.173 169.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 48.1 ttp180 -67.69 123.22 19.88 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.468 -0.938 . . . . 74.24 108.468 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.36 102.39 6.16 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 107.885 -1.154 . . . . 73.44 107.885 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.33 -63.64 1.37 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.309 0.644 . . . . 74.04 109.553 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.3 m-20 -77.72 156.77 30.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.381 -1.281 . . . . 73.43 109.979 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.585 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.3 pttp -60.43 -26.84 67.03 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.832 0.853 . . . . 72.12 110.135 169.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 21.5 mm-40 -62.85 -51.93 65.11 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.527 1.131 . . . . 75.54 110.454 172.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 100' ' ' ASP . 18.7 mm-40 -54.48 -40.41 68.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.743 0.817 . . . . 54.43 111.4 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 HD13 ' A' ' 13' ' ' ILE . 48.5 t -67.49 -58.13 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 123.816 0.698 . . . . 71.43 111.448 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 56.5 pttt -65.06 -34.45 78.46 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.447 0.467 . . . . 72.44 111.832 -171.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.48 -31.52 63.8 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.387 0.675 . . . . 75.45 112.293 174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.485 0.314 . . . . 74.44 111.008 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 98.4 t -67.06 -56.96 11.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 108.897 -0.779 . . . . 74.13 108.897 174.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 41.5 tt0 -49.49 -44.02 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.099 1.36 . . . . 74.51 111.688 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 33.4 tt0 -68.04 -47.56 68.05 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.065 0.853 . . . . 74.51 111.234 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -58.24 -27.23 63.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.957 0.903 . . . . 74.34 110.605 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 61.2 mt -80.79 -43.45 20.09 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.936 0.894 . . . . 71.32 111.566 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.9 mttm -59.96 -43.76 94.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.808 0.443 . . . . 75.43 110.54 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 9.0 mm-40 . . . . . 0 CA--C 1.544 0.74 0 CA-C-N 115.291 -0.868 . . . . 73.44 110.61 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 C--O 1.247 0.931 0 CA-C-O 121.134 0.492 . . . . 75.54 110.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -94.11 135.08 29.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.545 -1.207 . . . . 73.24 107.907 166.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 29' ' ' GLN . 70.3 t -129.15 119.79 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.652 -0.87 . . . . 64.31 108.652 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 30' ' ' THR . 84.9 t80 -98.74 118.32 35.2 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.468 -0.568 . . . . 75.32 109.468 173.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.9 tp -103.67 141.33 36.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 123.818 0.847 . . . . 73.22 108.776 170.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -150.85 146.78 26.56 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.047 -0.723 . . . . 74.51 109.047 167.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -86.76 -17.04 34.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.583 -0.735 . . . . 71.55 109.649 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.2 129.9 48.71 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 70.25 109.636 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' HA ' HD13 ' A' ' 14' ' ' ILE . 26.6 tp60 -67.62 -42.33 82.51 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 75.42 113.356 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.13 -45.6 87.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.459 0.304 . . . . 52.11 110.471 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.556 HD11 ' HB3' ' A' ' 101' ' ' LYS . 17.8 mm -51.53 -49.76 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 O-C-N 124.112 0.882 . . . . 70.32 111.619 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.542 HG22 ' HB ' ' A' ' 30' ' ' THR . 86.6 mt -54.78 -48.61 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.16 0.984 . . . . 74.21 110.659 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 -33.94 76.73 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.018 0.824 . . . . 70.53 111.645 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 56.1 mm-40 -64.43 -49.46 71.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.006 0.523 . . . . 71.13 111.55 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 HG13 ' A' ' 108' ' ' VAL . 97.4 t -71.58 -37.62 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.683 -0.689 . . . . 74.11 111.281 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.423 ' HB2' HG23 ' A' ' 30' ' ' THR . 30.2 t -69.22 -39.12 78.76 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.134 0.574 . . . . 50.11 111.012 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 16.4 tppt? -66.2 -44.26 84.44 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.57 0.544 . . . . 75.51 110.158 176.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.17 -36.2 83.47 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.542 0.737 . . . . 72.43 111.145 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.85 72.23 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.67 -0.696 . . . . 74.11 110.884 176.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.08 -40.14 71.75 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.613 0.571 . . . . 71.24 110.253 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 46.0 mt-10 -57.45 -48.5 79.0 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.172 0.589 . . . . 75.43 110.411 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -85.03 -16.57 40.28 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.402 -0.817 . . . . 64.43 112.81 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 21.89 76.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.549 0.531 . . . . 73.4 113.068 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -72.72 120.68 18.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.258 0.623 . . . . 72.1 110.445 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.09 93.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 109.09 -0.707 . . . . 74.43 109.09 170.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.4 mt -123.69 122.73 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.544 0.738 . . . . 74.3 109.503 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.564 ' HB3' HG22 ' A' ' 5' ' ' VAL . 7.6 tp-100 -82.62 113.13 20.1 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.78 -0.822 . . . . 75.24 108.78 171.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.542 ' HB ' HG22 ' A' ' 14' ' ' ILE . 41.6 p -105.72 134.5 48.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 122.956 0.502 . . . . 72.25 110.001 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.478 ' HB3' HD13 ' A' ' 37' ' ' ILE . 47.1 t -151.57 161.07 43.31 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.397 0.679 . . . . 72.44 110.335 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.99 -32.53 9.19 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.353 1.061 . . . . 63.2 109.262 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.3 104.61 10.04 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 115.61 -0.723 . . . . 74.33 109.96 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -64.76 -28.16 69.39 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.04 -0.982 . . . . 74.01 111.557 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.86 -37.47 79.12 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.797 0.839 . . . . 75.12 110.9 -173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 22.3 tt0 -62.51 -48.15 80.82 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.568 -0.742 . . . . 64.33 109.589 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' A' ' 31' ' ' SER . 51.5 mm -64.14 -36.46 77.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.005 -0.998 . . . . 75.15 111.216 -173.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -58.97 -44.65 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.846 0.858 . . . . 74.24 110.288 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 24.1 t70 -65.52 -33.68 76.49 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.232 -0.895 . . . . 73.55 110.81 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.1 mtp180 -74.4 -28.63 61.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.359 0.664 . . . . 71.14 110.926 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD22 ' HB ' ' A' ' 46' ' ' ILE . 79.7 mt -68.78 -34.83 76.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.516 0.726 . . . . 64.42 110.405 170.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 27.4 mtpp -66.81 -33.13 74.93 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.88 0.872 . . . . 74.54 111.686 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.6 mtt180 -71.06 -15.93 62.56 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.111 0.564 . . . . 74.32 111.033 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.15 22.37 11.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.893 1.277 . . . . 63.24 110.626 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.63 -22.34 47.08 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.555 0.742 . . . . 72.33 110.954 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.3 mt -97.54 125.76 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 123.558 0.743 . . . . 75.52 109.492 -176.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -89.98 -41.59 11.65 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.147 0.499 . . . . 74.14 110.494 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 ptm -145.33 138.85 26.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.51 -0.768 . . . . 74.12 108.996 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 ' HB ' HG21 ' A' ' 46' ' ' ILE . 8.7 tt -138.49 147.34 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.681 0.792 . . . . 75.01 109.649 -171.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG12 ' HB3' ' A' ' 74' ' ' LEU . 59.9 mt -132.86 119.8 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.351 -0.981 . . . . 73.4 108.351 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.479 HG23 HG23 ' A' ' 62' ' ' ILE . 59.2 t -115.28 123.58 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.62 0.768 . . . . 75.33 109.986 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 25.1 tptp -113.57 110.87 20.94 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.92 0.888 . . . . 74.54 109.396 173.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.44 HG22 HG13 ' A' ' 59' ' ' ILE . 4.8 t -163.3 152.08 14.28 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.114 0.565 . . . . 72.05 110.492 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.6 0.38 57.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.565 1.146 . . . . 71.45 110.446 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -92.22 108.47 19.97 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.188 -0.671 . . . . 72.44 109.188 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -52.33 -38.29 58.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.138 1.375 . . . . 75.55 113.062 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.71 -38.57 64.78 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.539 0.525 . . . . 74.21 110.578 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.4 m -66.87 -42.27 85.91 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.325 0.65 . . . . 75.45 110.08 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 75' ' ' ILE . 75.9 mt -59.62 -53.03 54.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.281 -0.872 . . . . 74.24 109.903 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 t -55.47 -51.74 65.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.319 1.048 . . . . 75.14 112.127 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 38.4 mm-40 -56.46 -48.91 76.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.544 0.738 . . . . 71.1 111.749 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.479 HG23 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -58.27 -50.01 79.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 123.791 0.682 . . . . 71.52 110.442 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 75' ' ' ILE . 65.7 mt -58.42 -43.36 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 123.158 0.286 . . . . 74.43 110.717 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.25 -43.7 83.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.562 0.745 . . . . 75.32 110.759 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.7 mm100 -60.24 -50.52 73.33 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.292 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 71' ' ' ALA . 95.9 t -66.01 -39.63 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.299 1.04 . . . . 74.44 112.246 -171.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 87.2 mt -67.68 -37.41 82.31 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.094 0.473 . . . . 70.33 110.532 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.74 -35.99 60.03 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.504 -0.771 . . . . 72.11 110.469 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -80.62 -16.18 54.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.778 0.831 . . . . 73.4 111.628 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.26 59.62 6.67 Favored Glycine 0 C--N 1.349 1.289 0 O-C-N 123.166 0.291 . . . . 72.34 112.769 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB3' HG12 ' A' ' 66' ' ' VAL . . . -127.32 172.65 10.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.461 0.705 . . . . 75.05 109.519 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -91.92 142.86 27.09 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 109.342 -0.614 . . . . 75.11 109.342 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.678 HG11 HG21 ' A' ' 93' ' ' VAL . 3.5 p -143.76 132.47 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.225 0.61 . . . . 74.13 110.462 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 ' HB3' HG12 ' A' ' 50' ' ' ILE . 43.7 tp -115.08 124.58 51.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.219 1.008 . . . . 73.4 108.341 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.509 HG13 HD11 ' A' ' 63' ' ' ILE . 37.6 mm -106.46 123.88 61.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 123.712 0.805 . . . . 74.31 109.278 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 78.9 mt -121.16 133.01 55.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.69 1.196 . . . . 73.01 107.972 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -156.14 143.06 18.89 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.835 -0.802 . . . . 71.03 108.835 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.5 p -64.17 -29.51 70.62 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.76 0.824 . . . . 64.35 110.98 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -92.12 109.74 21.1 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.168 -0.924 . . . . 74.24 109.2 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.26 -12.53 59.96 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 71.41 112.218 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -72.49 -38.52 68.14 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 108.683 -0.858 . . . . 73.22 108.683 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.0 mt -66.83 -47.41 82.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.983 -0.747 . . . . 74.44 108.983 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' HB ' ' A' ' 95' ' ' THR . 30.1 mm -52.25 -45.42 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 124.054 0.846 . . . . 75.4 110.659 175.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.62 -37.72 79.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.826 0.45 . . . . 71.43 111.732 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -60.75 -38.25 84.56 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.296 0.569 . . . . 62.32 110.166 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.38 -33.61 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.881 -1.054 . . . . 74.14 111.091 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 71.6 mtp85 -68.27 -49.1 62.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.644 0.378 . . . . 75.32 111.492 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -73.71 -33.19 64.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.877 -0.601 . . . . 71.1 111.808 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -80.4 -37.85 31.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.559 0.344 . . . . 73.41 111.272 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.26 101.77 31.11 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.279 0.632 . . . . 74.25 109.349 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 -39.99 5.33 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.299 1.999 . . . . 75.52 114.013 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -75.51 -15.14 60.43 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.608 0.966 . . . . 74.13 113.608 -168.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.678 HG21 HG11 ' A' ' 73' ' ' VAL . 7.2 p -76.15 141.38 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 122.461 0.305 . . . . 63.44 110.554 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -83.23 136.3 34.45 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.825 -0.806 . . . . 63.15 108.825 169.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 83' ' ' ILE . 10.0 p -139.72 147.46 40.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.831 0.452 . . . . 72.14 110.772 -173.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.72 HH11 ' HB2' ' A' ' 107' ' ' ALA . 55.9 ttt180 -160.91 139.3 9.86 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.621 0.768 . . . . 74.32 108.989 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -69.55 131.69 45.07 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.936 -0.764 . . . . 75.21 108.936 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.15 104.55 4.3 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.655 -1.239 . . . . 43.33 107.655 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -86.78 -52.25 5.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.898 0.479 . . . . 62.14 110.376 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -92.44 152.1 19.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.498 -0.774 . . . . 75.34 109.802 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.556 ' HB3' HD11 ' A' ' 13' ' ' ILE . 39.3 pttt -60.97 -20.07 61.89 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.587 1.155 . . . . 64.23 112.27 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -54.64 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 72.3 110.598 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.84 -34.19 72.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.019 0.928 . . . . 73.14 111.595 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.554 HG23 HD12 ' A' ' 13' ' ' ILE . 48.2 t -68.09 -60.21 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 O-C-N 123.712 0.632 . . . . 75.22 110.544 -177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.404 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.9 pttt -64.47 -31.4 72.6 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.487 0.492 . . . . 72.24 111.209 -174.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.87 -58.02 8.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.842 1.257 . . . . 73.31 111.277 168.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.72 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -63.31 -32.27 73.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.527 0.731 . . . . 62.11 111.399 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 50' ' ' ILE . 60.2 t -58.65 -53.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 O-C-N 124.103 0.877 . . . . 75.32 109.549 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 78.3 tt0 -58.74 -43.66 90.29 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.867 0.729 . . . . 75.41 111.006 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -61.96 -38.73 89.61 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.6 0.76 . . . . 72.45 111.835 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.61 -32.58 73.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.977 0.911 . . . . 74.42 110.254 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 82.5 mt -82.64 -27.21 31.52 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.031 -0.986 . . . . 74.43 112.462 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mttm -62.16 -44.73 95.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.877 0.471 . . . . 75.25 110.613 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.473 0.702 0 CA-C-N 115.842 -0.617 . . . . 75.41 110.521 175.461 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.6 tptt . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 120.642 0.258 . . . . 74.44 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.93 122.42 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.436 1.095 . . . . 74.5 108.347 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG12 HD12 ' A' ' 37' ' ' ILE . 58.2 t -128.62 138.11 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.686 0.794 . . . . 73.21 110.235 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.6 t80 -114.31 144.6 42.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.597 0.759 . . . . 75.23 108.993 170.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -136.64 140.51 42.84 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.783 1.233 . . . . 74.42 108.893 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -157.43 160.64 38.56 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.563 0.745 . . . . 74.55 109.613 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.43 -44.43 74.97 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.523 -0.917 . . . . 75.43 108.523 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.88 144.17 27.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 113.592 -1.64 . . . . 72.0 112.174 -163.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.28 -48.0 58.73 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.352 1.061 . . . . 73.33 112.146 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.73 -33.59 70.41 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.284 0.633 . . . . 73.24 111.381 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 101' ' ' LYS . 46.7 mm -61.93 -52.86 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.163 -0.926 . . . . 75.23 109.351 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG22 ' HB ' ' A' ' 30' ' ' THR . 37.2 mt -59.43 -37.01 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.987 1.315 . . . . 74.01 111.732 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.79 -42.47 85.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.215 0.606 . . . . 72.53 110.488 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 60.3 mm-40 -66.37 -43.65 85.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.87 0.868 . . . . 71.0 111.769 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.634 HG11 HG13 ' A' ' 108' ' ' VAL . 39.5 t -63.54 -49.93 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.092 -0.958 . . . . 72.01 111.267 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -70.61 -26.36 63.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.932 0.893 . . . . 72.52 110.939 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -67.56 -53.22 30.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.51 0.724 . . . . 74.41 110.129 174.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -66.62 -38.38 86.83 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.997 0.427 . . . . 75.04 109.889 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.42 97.03 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.02 -0.991 . . . . 73.33 111.159 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.37 -48.77 79.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.706 0.802 . . . . 75.51 110.713 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 13.5 mm-40 -61.76 -41.12 97.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.628 0.771 . . . . 72.22 112.337 -177.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -90.63 -8.04 51.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.179 0.437 . . . . 74.34 112.179 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.86 6.4 72.47 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.803 -0.443 . . . . 55.43 113.938 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.403 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 29.7 m-85 -71.08 121.41 18.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.301 0.64 . . . . 65.33 110.162 175.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.67 119.41 30.88 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.279 0.631 . . . . 73.4 109.357 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.455 HD11 HD13 ' A' ' 112' ' ' LEU . 29.8 mt -129.6 140.02 50.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 C-N-CA 123.955 0.902 . . . . 73.34 108.989 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -92.53 108.93 20.34 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.231 -1.026 . . . . 75.42 108.231 170.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 6' ' ' PHE . 59.7 p -98.13 140.17 32.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.45 0.7 . . . . 73.12 109.893 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -152.1 152.06 31.87 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.299 0.64 . . . . 74.14 110.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -101.79 -24.47 14.05 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.955 0.902 . . . . 73.33 109.828 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -84.76 101.01 11.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.514 -0.55 . . . . 75.11 109.514 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -65.89 -28.71 69.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.452 1.101 . . . . 74.53 112.834 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -69.12 -36.85 77.95 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.276 0.631 . . . . 72.44 110.988 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.51 -42.92 99.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.748 1.219 . . . . 72.12 110.114 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 HD12 HG12 ' A' ' 5' ' ' VAL . 42.4 mm -68.45 -41.34 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 114.886 -1.052 . . . . 65.2 111.108 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.619 HG22 ' HG3' ' A' ' 65' ' ' GLN . 80.6 mt -59.06 -39.44 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.305 1.042 . . . . 75.25 109.854 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 37.0 t70 -63.39 -41.92 98.78 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.138 0.899 . . . . 73.25 110.632 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -69.18 -33.19 72.99 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.21 0.604 . . . . 64.53 111.253 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.78 -29.55 64.59 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.613 0.765 . . . . 74.24 110.411 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -72.77 -26.44 61.54 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.854 0.862 . . . . 72.4 110.817 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 64.9 mtt-85 -85.17 -12.65 52.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.31 0.644 . . . . 74.33 111.645 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.565 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 62.91 30.14 16.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.134 0.974 . . . . 73.11 111.081 -175.358 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -88.26 -2.79 58.81 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.38 0.672 . . . . 72.51 112.809 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.33 125.91 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 122.83 0.452 . . . . 73.13 109.995 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.48 -52.27 7.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.068 0.947 . . . . 73.15 110.414 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 ptm -139.38 139.25 37.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.328 -0.851 . . . . 73.41 109.185 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.1 tt -141.2 145.06 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.468 0.707 . . . . 71.24 109.685 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.554 HG23 HG22 ' A' ' 108' ' ' VAL . 62.0 mt -129.78 128.01 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.454 -1.313 . . . . 74.41 107.454 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 62' ' ' ILE . 40.4 t -127.19 115.84 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.283 0.633 . . . . 74.42 110.192 -175.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 27.0 tptp -97.02 105.68 17.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.645 -0.872 . . . . 63.25 108.645 170.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.464 HG22 HG12 ' A' ' 51' ' ' VAL . 9.0 t -160.49 144.81 14.14 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.454 -0.943 . . . . 74.53 108.454 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -99.06 -10.36 22.69 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.856 0.462 . . . . 74.31 109.897 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.98 101.94 2.3 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.691 0.796 . . . . 72.11 109.249 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -54.54 -35.4 63.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.074 1.35 . . . . 74.34 113.065 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 48.0 mm-40 -61.94 -49.0 77.87 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.471 -0.566 . . . . 64.21 109.471 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 m -65.56 -43.98 88.14 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.443 0.697 . . . . 73.24 111.248 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.53 -56.69 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.888 0.875 . . . . 74.12 110.242 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -59.43 -42.89 92.94 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.365 1.041 . . . . 62.42 111.008 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 32.7 mm-40 -51.63 -58.76 5.45 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.23 0.956 . . . . 73.03 111.024 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.571 HG22 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -57.35 -48.77 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.308 1.005 . . . . 75.4 110.493 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.0 mt -56.79 -49.05 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 123.819 0.699 . . . . 75.14 110.899 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -55.18 -41.67 72.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.143 0.977 . . . . 75.44 110.62 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.619 ' HG3' HG22 ' A' ' 38' ' ' ILE . 9.9 mm100 -74.21 -28.94 61.5 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.348 -0.842 . . . . 74.22 112.044 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.554 HG11 ' HB1' ' A' ' 71' ' ' ALA . 62.0 t -75.18 -35.23 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.859 0.864 . . . . 71.41 110.347 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 80.1 mt -66.68 -43.18 85.13 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.738 -0.838 . . . . 75.11 108.738 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.08 -36.08 82.84 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.936 -1.029 . . . . 74.12 110.852 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.565 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 22.5 t -76.6 -25.0 53.44 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.832 -0.622 . . . . 72.32 111.588 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 51.88 48.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.399 -0.68 . . . . 72.11 111.399 -170.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -118.08 173.39 6.81 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.052 0.941 . . . . 72.44 110.792 -174.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 141.55 28.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.927 0.891 . . . . 75.24 108.6 173.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.713 HG12 HG22 ' A' ' 93' ' ' VAL . 6.8 p -143.31 137.0 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.999 0.52 . . . . 71.12 111.23 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 34.2 tp -117.46 115.68 25.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.363 1.065 . . . . 72.35 108.473 171.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.466 ' HB ' HG23 ' A' ' 95' ' ' THR . 37.4 mm -97.2 121.86 48.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 123.654 0.781 . . . . 75.02 109.506 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.3 mt -116.33 119.8 36.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.789 1.236 . . . . 73.14 107.951 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -136.44 143.23 43.78 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.679 -1.23 . . . . 64.54 107.679 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -66.42 -33.74 76.38 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.558 0.536 . . . . 73.02 111.378 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -89.55 127.64 35.91 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.628 0.771 . . . . 63.35 111.325 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.62 -32.5 73.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.808 1.243 . . . . 73.51 112.731 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -76.26 -30.34 57.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.318 0.647 . . . . 72.12 110.167 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.6 mt -71.56 -46.88 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 109.376 -0.601 . . . . 75.21 109.376 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.678 HG21 ' HE ' ' A' ' 87' ' ' ARG . 24.9 mm -55.18 -36.68 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.1 0.56 . . . . 65.42 110.577 171.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.56 -45.74 85.79 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.657 1.183 . . . . 72.35 111.902 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 m -64.74 -38.0 89.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.966 0.506 . . . . 63.11 110.791 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 82' ' ' ILE . 40.7 mm -68.52 -34.49 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.521 -0.763 . . . . 63.23 110.618 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.678 ' HE ' HG21 ' A' ' 83' ' ' ILE . 35.2 mtm180 -69.17 -42.33 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.547 0.739 . . . . 74.04 112.446 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.63 -29.51 36.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.437 0.295 . . . . 73.53 111.69 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.47 -40.5 17.64 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.92 0.39 . . . . 63.21 110.574 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -119.55 101.16 48.96 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 108.789 -0.819 . . . . 75.45 108.789 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.92 -34.53 10.57 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.026 1.817 . . . . 72.3 113.168 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -84.38 -10.51 57.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.414 0.894 . . . . 75.2 113.414 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.713 HG22 HG12 ' A' ' 73' ' ' VAL . 7.5 p -74.96 129.94 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.767 0.427 . . . . 75.1 110.353 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 9.1 mm-40 -68.29 115.58 7.9 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.315 -0.994 . . . . 74.5 108.315 167.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.543 ' HB ' HG23 ' A' ' 83' ' ' ILE . 12.5 p -124.35 146.8 48.61 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.546 0.739 . . . . 74.33 109.811 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -158.29 129.52 6.5 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.104 -0.953 . . . . 75.25 108.685 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.482 ' NH1' ' HG3' ' A' ' 99' ' ' GLN . 2.0 ttp85 -67.42 128.88 38.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.978 -0.749 . . . . 75.0 108.978 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.442 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.62 114.72 6.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.011 -1.107 . . . . 72.44 108.011 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG3' ' NH1' ' A' ' 97' ' ' ARG . 30.1 mt-30 -97.43 -56.27 2.58 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.272 0.358 . . . . 72.41 110.154 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.7 152.44 21.34 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.601 -0.518 . . . . 71.4 109.601 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HB3' HD12 ' A' ' 13' ' ' ILE . 54.3 pttt -61.28 -21.14 63.66 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.359 1.064 . . . . 74.11 112.75 -177.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.516 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 28.9 mm-40 -64.47 -50.65 66.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.285 0.634 . . . . 74.4 110.59 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.78 -29.86 70.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.543 -1.208 . . . . 75.0 111.327 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.504 HG11 HG22 ' A' ' 13' ' ' ILE . 61.9 t -69.81 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 123.374 0.67 . . . . 73.14 110.67 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.565 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.5 pttt -62.13 -33.54 74.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.503 0.502 . . . . 74.13 111.164 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.79 -51.08 71.26 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.786 0.834 . . . . 74.55 111.002 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.72 83.83 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.114 0.884 . . . . 75.23 111.256 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.634 HG13 HG11 ' A' ' 17' ' ' VAL . 75.7 t -61.92 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 73.11 109.751 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 30.0 tt0 -49.85 -41.98 46.4 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.599 1.16 . . . . 74.3 111.357 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.1 -47.8 83.94 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.554 1.542 . . . . 72.1 110.874 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -68.2 -33.14 73.88 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.796 1.238 . . . . 72.42 111.031 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 77.2 mt -71.03 -34.39 71.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.296 1.038 . . . . 74.33 111.861 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -55.93 -36.86 68.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.563 0.745 . . . . 73.33 112.928 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.48 1.057 0 C-N-CA 123.099 0.56 . . . . 74.44 111.236 175.313 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.758 0 N-CA-C 109.905 -0.406 . . . . 74.15 109.905 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.614 HG23 ' SD ' ' A' ' 48' ' ' MET . 15.4 t -90.45 116.84 32.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.057 -0.974 . . . . 75.23 108.784 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -121.56 113.07 37.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -88.08 135.5 33.39 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.421 -0.585 . . . . 74.43 109.421 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 37' ' ' ILE . 43.7 tp -122.47 136.33 54.87 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.218 1.407 . . . . 74.11 108.132 174.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.8 t -155.49 144.3 20.57 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.934 -0.765 . . . . 74.41 108.934 167.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 -14.83 57.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.114 0.566 . . . . 62.04 110.724 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.06 142.69 37.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.6 0.76 . . . . 74.55 110.95 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.68 -52.0 35.77 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.589 1.156 . . . . 72.31 112.771 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.29 -34.16 68.39 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.636 0.774 . . . . 64.45 111.509 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 104' ' ' VAL . 43.3 mm -63.18 -51.99 64.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 115.175 -0.921 . . . . 70.34 109.763 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -41.16 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.444 1.098 . . . . 75.11 111.024 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.76 -38.54 86.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.654 0.782 . . . . 63.33 112.116 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 63.1 mm-40 -73.65 -38.02 65.12 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.353 0.661 . . . . 74.41 112.044 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.31 -36.94 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.203 0.601 . . . . 74.13 110.58 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -68.42 -35.83 78.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.682 0.793 . . . . 61.55 110.383 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -68.09 -49.49 60.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.259 0.623 . . . . 72.15 109.773 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -38.45 76.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.944 0.898 . . . . 75.32 111.211 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -57.55 12.5 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.115 -0.948 . . . . 63.3 109.971 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.12 -42.81 81.58 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 124.228 0.955 . . . . 74.4 111.771 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -58.01 -49.53 76.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 73.31 111.669 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 38.0 mm-40 -80.97 -7.39 59.52 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.075 0.398 . . . . 74.0 112.075 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.25 43.96 7.76 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 122.808 0.242 . . . . 75.23 113.062 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.47 129.51 56.53 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.099 0.96 . . . . 70.25 109.572 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.15 74.61 1.78 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.665 -0.865 . . . . 74.41 108.665 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.42 134.45 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.33 -0.85 . . . . 73.04 109.81 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HG2' HH22 ' A' ' 40' ' ' ARG . 20.8 tp60 -79.1 109.78 13.74 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 108.666 -0.864 . . . . 74.34 108.666 170.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.6 p -96.8 144.02 27.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.518 . . . . 75.24 109.918 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -148.3 149.38 31.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.054 0.941 . . . . 73.41 109.644 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 8' ' ' SER . 25.5 t-20 -103.41 -34.08 8.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.903 0.881 . . . . 72.15 110.75 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -83.97 112.72 20.43 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.187 0.595 . . . . 64.53 111.176 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 10.4 ptpp? -68.51 -34.32 75.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.146 0.979 . . . . 75.12 112.176 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.09 -38.21 90.0 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.381 0.672 . . . . 75.25 111.374 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.9 tt0 -59.19 -47.63 84.6 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.413 -0.812 . . . . 64.33 109.404 174.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.503 HD13 ' HD3' ' A' ' 40' ' ' ARG . 37.0 mm -64.75 -41.6 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 114.838 -1.074 . . . . 73.43 111.987 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.0 mt -55.37 -39.75 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.507 0.723 . . . . 71.24 109.994 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.31 -32.91 63.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.524 -1.216 . . . . 74.14 111.692 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.536 HH22 ' HG2' ' A' ' 29' ' ' GLN . 47.5 mtp180 -73.11 -30.74 63.85 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.089 0.555 . . . . 74.34 110.396 177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -72.17 -31.26 65.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.223 -0.898 . . . . 75.14 110.575 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.12 -32.63 70.01 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 120.956 0.408 . . . . 74.53 111.066 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -84.16 -6.01 59.34 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.01 -0.995 . . . . 72.11 111.692 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 60.91 27.04 16.91 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.76 1.224 . . . . 75.25 110.514 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -79.94 -16.55 55.04 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.156 0.983 . . . . 75.12 112.002 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.433 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.8 mt -108.39 132.83 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.609 0.764 . . . . 70.45 109.841 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -88.8 -41.49 12.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.713 0.768 . . . . 75.01 110.208 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.614 ' SD ' HG23 ' A' ' 4' ' ' VAL . 8.0 ptp -145.62 136.25 24.28 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.731 -1.122 . . . . 64.44 108.825 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' HB ' HG21 ' A' ' 46' ' ' ILE . 3.8 tt -133.04 138.68 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 123.857 0.863 . . . . 73.31 109.017 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.494 HG22 HG21 ' A' ' 108' ' ' VAL . 57.8 mt -126.36 108.42 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 108.236 -1.024 . . . . 75.1 108.236 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.581 HG21 HG21 ' A' ' 62' ' ' ILE . 60.7 t -101.01 135.29 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.662 0.785 . . . . 75.35 110.147 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 13' ' ' ILE . 46.3 tptt -124.79 106.01 9.72 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.79 -0.818 . . . . 64.35 108.79 172.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -170.02 162.12 8.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.339 1.456 . . . . 71.41 107.599 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.57 -8.3 21.11 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.06 0.544 . . . . 73.52 111.185 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -70.12 93.17 0.79 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 109.542 -0.54 . . . . 72.12 109.542 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.512 ' HG2' HG22 ' A' ' 82' ' ' ILE . 54.0 mtpt -57.08 -34.12 67.98 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.098 1.359 . . . . 73.23 112.865 -170.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.07 -44.95 75.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.925 -1.034 . . . . 74.42 110.943 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.417 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 93.3 p -73.06 -43.08 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.035 -0.529 . . . . 71.25 110.633 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.484 HG22 HD12 ' A' ' 75' ' ' ILE . 87.7 mt -50.05 -49.27 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.013 0.925 . . . . 71.24 110.349 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -50.17 -46.63 54.39 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.43 1.081 . . . . 72.41 111.281 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 30.0 mm-40 -66.63 -44.24 82.54 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.292 0.637 . . . . 72.03 111.499 -176.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.581 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.69 -55.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 O-C-N 123.66 0.6 . . . . 74.45 109.855 174.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.61 -42.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 124.12 0.887 . . . . 74.24 111.138 -175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -57.15 -43.93 82.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.495 0.718 . . . . 75.04 111.039 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.3 mm100 -65.46 -41.62 93.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.701 0.626 . . . . 72.42 110.79 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.547 HG13 ' HB ' ' A' ' 73' ' ' VAL . 58.0 t -67.62 -39.38 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 72.05 111.343 -177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.343 0.657 . . . . 73.42 109.647 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.98 -41.45 96.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.885 -1.052 . . . . 71.12 110.407 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -75.83 -29.14 58.52 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 75.35 111.51 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.18 33.8 43.54 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.421 -0.354 . . . . 74.14 112.451 -173.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -99.9 172.16 7.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.706 0.802 . . . . 74.32 110.57 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.6 mppt? -89.47 144.31 26.14 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.921 -0.77 . . . . 73.41 108.921 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.674 HG11 HG23 ' A' ' 93' ' ' VAL . 2.6 p -143.22 129.04 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.316 0.646 . . . . 75.45 110.831 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD21 ' HB3' ' A' ' 107' ' ' ALA . 45.3 tp -113.08 120.15 40.33 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.23 -1.026 . . . . 55.44 108.23 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.484 HD12 HG22 ' A' ' 59' ' ' ILE . 36.4 mm -99.64 121.34 50.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.16 -0.681 . . . . 74.32 109.16 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.97 119.48 36.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.318 1.047 . . . . 75.21 108.338 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -140.01 143.97 36.7 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.102 -1.073 . . . . 71.44 108.102 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -69.2 -35.16 75.93 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.764 0.425 . . . . 65.15 110.951 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.85 125.14 34.79 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.356 -0.838 . . . . 72.31 110.376 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.19 -21.38 62.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.159 0.984 . . . . 74.53 112.875 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -80.95 -30.24 35.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.645 0.378 . . . . 75.43 110.051 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.512 HG22 ' HG2' ' A' ' 56' ' ' LYS . 59.9 mt -62.27 -51.52 71.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.625 -0.88 . . . . 71.44 108.625 170.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.572 HG21 ' HB ' ' A' ' 95' ' ' THR . 34.7 mm -51.5 -45.82 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 124.314 1.009 . . . . 74.31 110.796 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.35 -46.83 88.53 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.264 0.625 . . . . 72.2 111.055 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.4 m -58.53 -39.53 80.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.2 0.6 . . . . 53.04 110.985 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.487 HG21 HG12 ' A' ' 93' ' ' VAL . 35.7 mm -68.73 -35.15 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.726 0.811 . . . . 74.43 111.307 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 59.1 mtm180 -69.7 -43.64 72.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.7 0.4 . . . . 74.43 111.511 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -75.67 -34.35 60.46 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 116.536 -0.302 . . . . 74.45 111.363 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.36 -50.84 50.33 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.069 0.548 . . . . 74.1 110.525 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.559 ' O ' HG11 ' A' ' 93' ' ' VAL . 50.6 m-85 -124.11 91.64 49.32 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 123.614 0.765 . . . . 75.42 109.15 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.75 -10.44 27.77 Favored 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 121.869 1.713 . . . . 75.21 113.764 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -85.19 -13.97 48.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.986 0.735 . . . . 74.12 112.986 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.674 HG23 HG11 ' A' ' 73' ' ' VAL . 7.3 p -77.2 150.68 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.185 0.448 . . . . 74.55 110.363 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.49 131.11 37.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.369 -1.345 . . . . 74.5 107.369 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.572 ' HB ' HG21 ' A' ' 83' ' ' ILE . 28.2 p -129.56 151.32 50.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.239 0.616 . . . . 74.34 110.443 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 140.27 11.52 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.8 -0.815 . . . . 75.51 108.8 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.13 124.44 29.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.161 -1.052 . . . . 74.22 108.161 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.67 104.89 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.684 -1.228 . . . . 74.24 107.684 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -78.46 -61.46 2.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.047 0.451 . . . . 74.31 109.896 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.59 170.06 8.26 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.533 -0.758 . . . . 75.0 109.531 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -52.4 -27.2 14.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.369 1.867 . . . . 75.25 113.941 -174.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -78.86 -37.07 41.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.532 0.733 . . . . 72.53 111.844 -173.217 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.46 -29.71 69.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.822 0.449 . . . . 75.31 111.576 170.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.477 HG21 HD12 ' A' ' 13' ' ' ILE . 39.8 t -68.54 -53.59 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 N-CA-C 109.78 -0.452 . . . . 73.34 109.78 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.1 pttt -65.36 -34.97 79.57 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.422 0.452 . . . . 74.04 111.116 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -52.88 -54.27 36.97 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.184 0.994 . . . . 72.53 111.378 168.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB3' HD21 ' A' ' 74' ' ' LEU . . . -62.38 -36.95 83.89 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.257 -0.883 . . . . 71.34 112.062 -175.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 50' ' ' ILE . 78.1 t -64.06 -52.0 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 O-C-N 124.144 0.903 . . . . 72.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.54 -48.41 72.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.076 0.95 . . . . 73.03 111.387 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.73 -44.41 90.46 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.707 1.203 . . . . 72.33 110.861 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.422 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 39.9 t80 -65.05 -41.83 94.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.222 1.009 . . . . 74.01 111.262 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 19.3 mt -75.43 -39.95 58.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.819 -0.628 . . . . 71.13 111.175 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.06 -25.03 62.46 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 74.32 111.407 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 112.69 0.626 . . . . 72.43 112.69 172.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.494 0.187 . . . . 72.1 110.617 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -96.47 123.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 N-CA-C 108.929 -0.767 . . . . 63.04 108.929 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 29' ' ' GLN . 69.7 t -123.5 118.37 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.843 -0.799 . . . . 72.15 108.843 174.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' HB3' HG21 ' A' ' 30' ' ' THR . 74.2 t80 -96.36 120.92 37.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.21 0.604 . . . . 75.4 109.424 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.531 HD13 HG13 ' A' ' 37' ' ' ILE . 55.0 tp -110.05 135.2 51.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.373 1.069 . . . . 74.35 108.929 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.552 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 58.5 m -154.33 146.87 24.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.561 0.744 . . . . 73.42 110.615 173.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.08 14.41 14.15 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.673 0.789 . . . . 62.41 111.043 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -142.81 130.09 20.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.413 0.685 . . . . 71.34 109.83 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -68.25 -43.1 78.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.588 0.755 . . . . 65.22 112.581 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -56.08 -36.69 68.38 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.461 0.704 . . . . 70.15 111.207 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.589 HD11 HG22 ' A' ' 104' ' ' VAL . 47.0 mm -67.7 -51.39 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 115.423 -0.808 . . . . 73.4 109.941 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.28 -43.07 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.452 1.101 . . . . 75.43 111.187 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.03 -41.93 70.19 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.419 0.688 . . . . 72.12 111.751 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 30.4 mm-40 -63.32 -43.67 97.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.322 0.649 . . . . 65.3 111.596 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 86.2 t -70.48 -40.74 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.775 -0.648 . . . . 74.3 110.822 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -58.32 -37.96 76.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.887 . . . . 73.23 110.482 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.2 -54.4 21.42 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 115.129 -0.941 . . . . 72.32 110.813 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -62.92 -40.38 97.42 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.564 0.54 . . . . 74.15 110.783 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.39 93.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.96 -1.018 . . . . 75.12 110.933 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.12 -48.01 83.51 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.779 0.675 . . . . 74.33 110.779 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.14 -43.67 74.38 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.915 0.886 . . . . 64.12 111.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -82.2 -17.24 46.87 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 116.095 -0.502 . . . . 74.35 111.863 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.88 15.53 65.15 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-O 119.938 -0.368 . . . . 73.35 113.241 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.41 110.18 5.18 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.202 0.601 . . . . 74.13 110.611 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.8 92.91 0.71 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.528 0.731 . . . . 72.15 109.881 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -117.29 130.75 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.661 -0.496 . . . . 72.3 109.661 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HB3' HG21 ' A' ' 5' ' ' VAL . 22.1 tp60 -88.07 113.35 23.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.662 -0.866 . . . . 72.13 108.662 170.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.47 HG21 ' HB3' ' A' ' 6' ' ' PHE . 41.1 p -97.99 148.91 23.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 110.049 -0.352 . . . . 74.32 110.049 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.7 t -151.87 151.18 30.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.888 0.875 . . . . 72.14 110.384 -176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 8' ' ' SER . 26.8 t-20 -96.75 -49.39 5.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.004 0.922 . . . . 72.31 109.671 168.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.62 105.41 1.87 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.374 -1.285 . . . . 75.03 111.126 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 17.5 ptpt -71.94 -28.28 63.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.168 0.987 . . . . 74.12 113.461 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.41 -36.03 80.46 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.133 0.271 . . . . 74.41 111.123 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.9 tt0 -63.05 -45.33 92.72 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 109.794 -0.447 . . . . 65.51 109.794 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.531 HG13 HD13 ' A' ' 7' ' ' LEU . 51.9 mm -66.51 -38.04 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.129 -0.941 . . . . 61.52 111.483 -172.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.55 HG22 ' HG3' ' A' ' 65' ' ' GLN . 88.3 mt -58.69 -39.67 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.918 0.887 . . . . 75.13 110.208 172.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 28.5 t70 -71.67 -30.66 65.96 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.356 -0.838 . . . . 72.42 110.956 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.7 mtp180 -70.82 -35.02 72.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.764 0.426 . . . . 74.11 110.075 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 HD23 HG22 ' A' ' 66' ' ' VAL . 61.4 mt -67.1 -34.98 78.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.19 0.596 . . . . 70.11 110.596 174.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -61.49 -36.49 80.63 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.774 0.83 . . . . 73.3 111.149 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.7 mtt-85 -83.22 -5.59 59.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.65 0.78 . . . . 73.42 112.562 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 22.02 12.82 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.212 1.005 . . . . 75.24 110.545 -172.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.65 -20.22 63.59 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.565 1.546 . . . . 73.14 112.057 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.501 HG22 ' HB ' ' A' ' 49' ' ' ILE . 37.9 mt -113.3 131.61 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 123.85 0.86 . . . . 74.05 109.645 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -86.66 -39.82 15.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.675 0.79 . . . . 75.34 110.662 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.555 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 16.5 ptm -151.28 132.66 14.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.268 -0.878 . . . . 73.23 109.449 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.501 ' HB ' HG22 ' A' ' 46' ' ' ILE . 6.3 tt -131.74 141.09 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.999 0.92 . . . . 71.04 109.311 -172.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 108' ' ' VAL . 67.4 mt -128.51 115.05 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 107.908 -1.145 . . . . 75.44 107.908 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 62' ' ' ILE . 40.7 t -112.26 116.39 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.575 0.75 . . . . 64.1 110.543 -173.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 29.3 tptp -102.35 105.79 16.45 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.481 -0.933 . . . . 74.4 108.481 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 51' ' ' VAL . 13.7 t -163.41 161.32 24.3 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 74.54 108.994 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -119.61 13.27 12.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.788 0.835 . . . . 74.31 110.057 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 59' ' ' ILE . 18.1 t70 -95.69 101.49 13.19 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.928 -0.768 . . . . 75.0 108.928 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.05 -43.86 70.58 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.278 1.031 . . . . 75.34 112.793 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 29.9 mm-40 -60.96 -43.91 98.07 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.157 0.91 . . . . 74.15 111.231 -172.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 79.5 p -74.31 -41.92 60.35 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.638 0.586 . . . . 72.32 110.992 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 75' ' ' ILE . 83.9 mt -49.56 -50.82 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.79 0.836 . . . . 73.41 110.212 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 t -54.66 -44.62 73.43 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 124.728 1.267 . . . . 71.44 110.868 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 22.2 mm-40 -61.38 -47.31 86.43 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 123.669 0.606 . . . . 72.44 111.135 -178.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 51' ' ' VAL . 1.8 mp -51.46 -55.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 124.073 0.858 . . . . 73.23 109.53 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 53.2 mt -58.46 -42.79 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 124.111 0.882 . . . . 74.03 111.11 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -56.25 -42.92 78.15 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.072 0.949 . . . . 73.44 111.022 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.55 ' HG3' HG22 ' A' ' 38' ' ' ILE . 9.7 mm100 -80.12 -27.49 39.14 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.267 -0.879 . . . . 70.31 111.596 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG12 ' HB ' ' A' ' 73' ' ' VAL . 89.1 t -72.65 -44.58 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.073 0.549 . . . . 72.41 110.227 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 94.5 mt -60.35 -42.58 96.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.565 0.746 . . . . 71.45 109.906 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.53 -31.41 68.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.31 -0.859 . . . . 71.42 110.574 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -75.08 -25.34 58.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.571 0.749 . . . . 74.04 110.817 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 34.06 64.84 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.239 -0.437 . . . . 62.55 112.579 -173.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' A' ' 66' ' ' VAL . . . -101.2 -179.01 3.91 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.144 0.978 . . . . 63.34 110.716 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.555 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 4.0 mppt? -95.14 146.64 24.16 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.189 0.596 . . . . 70.21 109.532 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.715 HG12 HG22 ' A' ' 93' ' ' VAL . 3.5 p -143.84 132.69 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.048 0.939 . . . . 75.42 110.895 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.8 tp -119.39 113.93 21.56 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.33 1.052 . . . . 71.32 108.558 173.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 59' ' ' ILE . 42.9 mm -92.84 123.17 44.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 123.705 0.802 . . . . 72.35 109.651 176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.31 120.46 37.71 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.915 1.286 . . . . 74.54 107.735 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -137.39 141.57 41.71 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.377 -0.971 . . . . 71.41 108.377 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -33.75 74.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.184 0.516 . . . . 73.31 111.176 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.69 124.04 33.14 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.337 -0.847 . . . . 75.35 110.847 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.463 ' HB2' ' HD2' ' A' ' 97' ' ' ARG . 29.7 tt0 -73.32 -24.77 60.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.973 -1.012 . . . . 70.14 112.367 -176.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -72.45 -32.5 66.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.321 -0.622 . . . . 74.0 109.321 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.41 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.5 mt -68.46 -47.97 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.569 0.748 . . . . 74.15 109.374 174.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.478 HG22 ' HB ' ' A' ' 95' ' ' THR . 28.1 mm -50.97 -45.86 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 O-C-N 124.023 0.827 . . . . 73.44 110.368 173.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -62.65 -45.66 91.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.741 0.816 . . . . 65.31 111.641 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.2 m -57.29 -42.05 80.98 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.967 0.507 . . . . 54.33 110.693 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 82' ' ' ILE . 38.9 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-N 114.999 -1.001 . . . . 75.45 110.902 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 47.7 mtm180 -72.01 -48.09 47.19 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.65 0.38 . . . . 73.31 111.804 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.1 -31.18 67.47 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.617 -0.265 . . . . 74.15 111.616 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -73.57 -53.41 10.59 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.729 -0.471 . . . . 73.44 109.729 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -120.02 104.11 44.42 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.336 0.654 . . . . 75.21 110.612 -172.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -71.33 -30.32 15.76 Favored 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.275 1.984 . . . . 72.14 113.285 169.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 5.32 11.09 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 113.93 1.085 . . . . 75.13 113.93 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.715 HG22 HG12 ' A' ' 73' ' ' VAL . 11.6 p -104.54 143.37 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.276 0.489 . . . . 75.03 110.845 174.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.56 129.75 34.79 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.553 -0.906 . . . . 72.42 108.553 166.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.478 ' HB ' HG22 ' A' ' 83' ' ' ILE . 20.0 p -128.63 145.59 51.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.576 0.751 . . . . 72.23 109.406 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.57 128.78 8.22 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.338 -0.986 . . . . 73.0 108.338 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 70.7 ttt180 -67.29 126.52 29.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.11 -0.7 . . . . 74.14 109.11 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.542 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -137.52 108.28 6.64 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 107.868 -1.16 . . . . 74.23 107.868 -177.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.61 -40.57 6.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.959 0.904 . . . . 74.34 109.437 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m-20 -90.5 136.61 32.95 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.467 -1.242 . . . . 74.54 109.516 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -63.0 -27.55 69.5 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.573 0.749 . . . . 74.53 111.474 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.8 pt-20 -67.05 -40.89 87.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.619 0.768 . . . . 75.2 110.791 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.14 -26.11 64.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.173 0.589 . . . . 73.13 112.236 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.589 HG22 HD11 ' A' ' 13' ' ' ILE . 60.1 t -72.35 -54.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 110.216 -0.29 . . . . 73.32 110.216 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.7 pttt -65.02 -30.14 71.1 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.285 0.366 . . . . 72.53 111.049 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 36.7 t70 -58.29 -57.33 13.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.918 0.762 . . . . 64.51 110.231 166.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.54 68.11 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.858 0.863 . . . . 75.25 112.468 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.467 ' HA ' HD13 ' A' ' 50' ' ' ILE . 92.8 t -64.86 -54.41 30.16 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 O-C-N 124.338 1.024 . . . . 55.44 109.634 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.89 -35.48 76.76 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.876 0.735 . . . . 62.52 111.451 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 5.6 mm-40 -67.99 -43.75 78.2 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.497 0.719 . . . . 75.2 110.12 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.37 -31.11 72.19 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.794 0.838 . . . . 75.42 110.3 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.21 -50.12 12.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.05 0.94 . . . . 72.41 111.628 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -65.99 -35.07 79.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.144 0.577 . . . . 71.21 112.166 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 111.66 0.245 . . . . 60.24 111.66 177.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 16.9 tppt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.292 -0.633 . . . . 74.52 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.451 HG11 HD22 ' A' ' 112' ' ' LEU . 14.5 t -99.85 125.86 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 107.6 -1.259 . . . . 72.4 107.6 167.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 29' ' ' GLN . 74.6 t -120.74 121.99 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 109.251 -0.648 . . . . 73.23 109.251 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.7 t80 -94.9 106.43 18.42 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.57 -0.9 . . . . 74.2 108.57 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 59.5 tp -102.65 129.52 49.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.061 0.944 . . . . 75.53 108.901 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 66.9 m -148.68 157.19 43.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.665 . . . . 70.12 109.986 174.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 26.2 t0 -105.81 4.6 29.99 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.688 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.04 125.68 51.7 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.586 -0.697 . . . . 64.01 109.138 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.42 HE21 ' HG3' ' A' ' 15' ' ' GLU . 25.3 tp60 -65.02 -38.84 92.25 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.479 1.112 . . . . 74.03 112.94 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.75 -50.53 70.69 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.414 -0.587 . . . . 75.24 109.414 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.572 HG23 ' HG2' ' A' ' 52' ' ' LYS . 50.3 mm -49.56 -51.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 114.32 -1.309 . . . . 75.53 111.658 172.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 30' ' ' THR . 85.4 mt -56.36 -48.69 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.71 0.804 . . . . 73.35 110.947 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HG3' HE21 ' A' ' 11' ' ' GLN . 48.0 mt-10 -71.51 -34.77 70.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.346 0.658 . . . . 74.42 112.57 -174.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 101' ' ' LYS . 24.5 mm-40 -64.09 -47.02 81.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.439 0.696 . . . . 75.42 111.08 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.486 HG23 ' HB3' ' A' ' 105' ' ' LYS . 61.5 t -77.22 -32.28 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 115.644 -0.707 . . . . 75.5 111.279 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -64.3 -46.02 85.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.718 0.807 . . . . 64.14 110.293 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.0 tppt? -62.86 -45.44 92.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.88 -1.055 . . . . 74.03 110.125 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' A' ' 109' ' ' GLU . 56.1 tttp -57.99 -46.1 85.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.278 0.631 . . . . 74.15 111.846 176.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.92 72.54 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.588 0.755 . . . . 61.12 111.275 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.78 -47.37 53.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.53 0.732 . . . . 75.45 110.382 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 70.8 mm-40 -61.3 -45.89 92.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.518 0.727 . . . . 74.15 111.753 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -76.39 -21.48 55.99 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.085 -0.507 . . . . 74.02 111.795 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.57 67.84 Favored Glycine 0 C--N 1.343 0.931 0 O-C-N 123.522 0.514 . . . . 74.51 113.072 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 121.4 14.87 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.426 -0.583 . . . . 70.01 109.426 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.21 92.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.095 0.558 . . . . 64.02 109.659 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.8 mt -134.02 127.1 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.794 0.838 . . . . 74.02 110.271 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HB3' HG21 ' A' ' 5' ' ' VAL . 24.1 tp60 -89.71 113.65 25.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.789 -0.819 . . . . 75.0 108.789 170.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.513 HG22 ' HB3' ' A' ' 6' ' ' PHE . 38.8 p -97.14 130.88 44.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 73.14 109.285 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 t -152.13 160.06 43.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.883 0.473 . . . . 62.53 111.194 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -105.47 -46.89 4.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.209 1.004 . . . . 73.33 111.178 -178.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.11 109.62 8.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.598 0.759 . . . . 72.42 110.327 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HB2' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -70.32 -21.63 62.9 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.825 0.676 . . . . 73.13 112.825 -178.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.8 -37.52 73.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.189 0.596 . . . . 74.32 111.978 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.62 -38.92 70.73 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.208 1.003 . . . . 75.43 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.07 -36.17 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 115.246 -0.888 . . . . 75.33 110.669 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -58.24 -41.9 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.055 1.342 . . . . 74.33 110.452 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 32.2 t70 -63.32 -35.82 81.63 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.93 0.892 . . . . 65.22 111.294 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.83 -32.51 57.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.736 0.415 . . . . 71.33 110.787 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.32 -35.36 80.1 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.131 0.573 . . . . 73.54 110.768 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 58.3 mtpt -63.98 -30.85 71.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.798 0.839 . . . . 74.3 111.379 175.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -86.17 -5.74 59.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.558 0.743 . . . . 75.31 111.787 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 64.22 20.27 12.11 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.568 1.147 . . . . 75.44 110.334 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.38 -19.83 59.32 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.728 1.211 . . . . 72.13 111.193 -170.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 55.0 mt -105.25 124.4 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.158 0.983 . . . . 72.24 108.67 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -78.39 -42.33 30.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.28 0.632 . . . . 75.34 110.859 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.11 138.67 19.6 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.463 -0.79 . . . . 74.15 109.698 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -135.89 142.62 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.329 0.652 . . . . 73.44 109.81 -175.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.4 mt -124.01 109.11 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.072 0.949 . . . . 74.24 108.673 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.438 HG22 HG21 ' A' ' 62' ' ' ILE . 41.3 t -104.35 121.81 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.534 1.133 . . . . 72.24 110.286 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HG2' HG23 ' A' ' 13' ' ' ILE . 43.7 tptt -115.68 106.82 14.33 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.305 1.042 . . . . 75.14 108.874 173.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.413 HG23 HG11 ' A' ' 51' ' ' VAL . 6.4 t -162.74 150.52 13.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.081 1.353 . . . . 73.14 108.495 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.545 ' HA ' ' HG ' ' A' ' 77' ' ' SER . 1.2 mp0 -91.97 -13.29 31.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.221 0.608 . . . . 75.43 111.222 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.11 107.85 15.13 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.832 -0.803 . . . . 72.02 108.832 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -60.12 -25.05 65.16 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.421 1.088 . . . . 74.13 113.131 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.37 -33.7 42.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.959 0.503 . . . . 73.42 110.003 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -70.95 -40.56 71.93 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.257 0.623 . . . . 71.34 109.432 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.488 HG21 HD11 ' A' ' 75' ' ' ILE . 88.8 mt -56.47 -51.74 61.22 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 C-N-CA 124.243 1.017 . . . . 75.21 110.211 171.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.487 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.6 t -54.74 -47.35 73.94 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.799 -1.546 . . . . 72.4 111.063 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 34.8 mm-40 -49.3 -52.74 25.71 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 124.428 1.08 . . . . 70.32 112.265 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 34' ' ' LYS . 1.8 mp -59.48 -47.62 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 123.74 0.65 . . . . 74.13 110.232 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.487 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 61.0 mt -62.49 -34.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.714 0.633 . . . . 74.14 110.914 -177.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 60' ' ' SER . 27.2 mtpp -61.45 -44.29 97.37 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.405 0.682 . . . . 75.43 109.929 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 6.7 mm100 -69.2 -28.6 66.53 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 115.306 -0.861 . . . . 72.33 110.882 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.16 -26.35 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.805 0.842 . . . . 71.15 110.985 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.2 mt -70.77 -36.42 73.07 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.888 -0.782 . . . . 75.22 108.888 173.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.57 -44.13 68.03 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 114.983 -1.008 . . . . 73.24 112.124 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -82.58 -55.52 4.41 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.092 0.472 . . . . 64.43 111.362 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.53 38.78 3.38 Favored Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.606 -0.725 . . . . 65.14 111.576 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.07 178.63 6.14 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.625 0.77 . . . . 74.41 110.488 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -87.57 144.1 26.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.252 -1.018 . . . . 74.25 108.252 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.735 HG11 HG23 ' A' ' 93' ' ' VAL . 7.3 p -143.92 132.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.26 0.552 . . . . 75.32 110.237 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.7 tp -113.23 136.31 52.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.253 -1.017 . . . . 74.54 108.253 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.506 ' HB ' HG23 ' A' ' 95' ' ' THR . 36.9 mm -117.82 119.4 61.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 123.82 0.848 . . . . 74.52 109.266 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 93.4 mt -118.52 121.64 40.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.669 1.188 . . . . 74.5 108.022 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.545 ' HG ' ' HA ' ' A' ' 54' ' ' GLU . 37.3 t -143.76 147.35 34.04 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.168 -0.679 . . . . 74.53 109.168 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -67.82 -37.23 81.66 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.749 0.655 . . . . 75.14 110.106 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.54 109.59 10.4 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 115.092 -0.958 . . . . 61.44 110.077 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.49 -28.99 66.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.433 1.093 . . . . 74.34 110.683 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.25 -34.58 70.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.781 0.433 . . . . 73.15 110.018 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.474 ' O ' HG12 ' A' ' 86' ' ' ILE . 59.5 mt -74.03 -37.18 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.987 0.515 . . . . 73.34 110.396 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 26.4 mm -56.6 -44.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.673 -0.492 . . . . 75.24 109.673 171.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.655 0.782 . . . . 71.2 110.756 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.9 m -59.48 -45.06 92.74 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.994 0.809 . . . . 72.32 111.193 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.9 mm -68.41 -31.64 52.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.519 -0.764 . . . . 74.2 110.914 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 48.2 mtm105 -75.63 -40.58 56.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.941 0.497 . . . . 73.41 112.121 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 ptmt -76.24 -29.05 57.38 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.6 0.36 . . . . 74.53 110.973 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -76.4 -54.85 6.16 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.542 -0.54 . . . . 74.31 109.542 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -112.91 101.46 53.24 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.259 1.024 . . . . 74.52 109.472 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.5 -29.46 20.31 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.511 2.14 . . . . 74.04 113.825 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.74 -29.95 51.39 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.776 0.658 . . . . 70.05 112.776 -171.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.735 HG23 HG11 ' A' ' 73' ' ' VAL . 9.4 p -68.24 133.06 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 122.733 0.413 . . . . 75.43 111.322 -172.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -73.03 135.95 44.97 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.109 -0.701 . . . . 75.44 109.109 168.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 75' ' ' ILE . 1.9 p -146.98 145.11 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.99 1.316 . . . . 71.33 108.497 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -162.51 146.66 11.84 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 109.332 -0.618 . . . . 75.15 109.332 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -67.5 128.86 38.0 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.138 -0.69 . . . . 74.41 109.138 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -143.36 106.32 4.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.122 -1.436 . . . . 65.1 107.122 173.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -94.85 -56.86 2.62 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.921 -0.77 . . . . 60.41 108.921 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.89 155.74 18.52 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.58 -1.191 . . . . 74.32 108.763 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HG3' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.21 -26.82 63.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 75.2 112.673 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.55 -45.43 87.12 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 109.876 -0.416 . . . . 74.24 109.876 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.7 -36.14 80.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.068 0.947 . . . . 74.32 111.2 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.525 HG22 HD13 ' A' ' 13' ' ' ILE . 46.8 t -70.15 -59.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.818 0.699 . . . . 73.3 110.597 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' VAL . 61.3 pttt -67.33 -32.84 74.07 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.427 0.454 . . . . 72.11 111.866 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.55 -51.63 66.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.916 0.886 . . . . 74.44 110.747 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.234 0.614 . . . . 73.31 111.881 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.515 ' HA ' HD13 ' A' ' 50' ' ' ILE . 69.2 t -64.42 -57.26 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 122.906 0.482 . . . . 75.2 109.8 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.507 ' HB2' ' HE3' ' A' ' 20' ' ' LYS . 27.3 tt0 -58.36 -37.39 75.12 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 123.973 0.796 . . . . 71.54 110.907 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.27 -39.2 89.26 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 114.774 -1.103 . . . . 64.13 110.52 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -72.64 -30.27 64.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.424 0.69 . . . . 72.43 110.545 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.451 HD22 HG11 ' A' ' 4' ' ' VAL . 68.9 mt -71.55 -48.23 49.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.778 0.831 . . . . 71.22 110.886 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.65 -37.18 70.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.525 0.73 . . . . 73.44 111.895 -176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 123.049 0.54 . . . . 64.22 111.751 177.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.242 0.695 0 CA-C-O 120.86 0.362 . . . . 73.25 110.693 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.48 122.11 45.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 114.6 -1.182 . . . . 74.14 108.206 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.1 t -117.35 120.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.37 -0.604 . . . . 75.5 109.37 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -96.05 104.89 16.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.211 -0.663 . . . . 72.12 109.211 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 55.2 tp -95.07 112.8 24.46 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.982 -0.747 . . . . 74.43 108.982 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -132.85 142.98 49.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.203 -0.666 . . . . 72.43 109.203 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.16 2.66 55.93 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.452 0.701 . . . . 74.13 110.054 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -128.39 130.14 47.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.748 0.819 . . . . 62.14 110.275 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -67.21 -46.93 72.39 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.673 0.789 . . . . 73.42 112.418 -175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -50.96 -37.5 44.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.762 0.825 . . . . 75.44 111.553 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.631 HD13 HG23 ' A' ' 104' ' ' VAL . 47.9 mm -69.26 -52.0 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.388 -1.278 . . . . 73.42 110.56 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.466 HG23 ' HB ' ' A' ' 30' ' ' THR . 84.8 mt -57.91 -40.59 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.335 1.054 . . . . 75.13 111.781 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -46.6 88.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.81 0.844 . . . . 72.14 111.005 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.63 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.2 mm-40 -65.78 -47.38 75.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.214 -0.903 . . . . 74.3 111.914 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.97 -42.08 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.451 0.7 . . . . 62.12 111.169 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 -37.39 72.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.269 0.628 . . . . 70.12 111.764 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -72.78 -39.32 66.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.577 0.351 . . . . 75.21 110.999 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.15 -42.88 96.59 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.859 -0.61 . . . . 73.41 110.357 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.88 78.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.597 0.759 . . . . 75.51 110.82 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.5 -50.02 74.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.822 0.849 . . . . 71.03 110.39 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.9 -32.98 74.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.648 0.779 . . . . 72.54 112.626 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.67 -5.99 50.22 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.33 0.493 . . . . 73.42 112.33 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.89 67.65 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 114.022 0.369 . . . . 55.44 114.022 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -90.06 117.88 29.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.032 0.933 . . . . 73.42 110.964 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.84 94.74 8.8 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.697 -1.223 . . . . 63.54 107.697 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.93 129.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.724 -0.61 . . . . 74.23 109.56 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 5' ' ' VAL . 64.5 tp60 -75.51 105.79 6.72 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.215 -1.032 . . . . 73.43 108.215 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.466 ' HB ' HG23 ' A' ' 14' ' ' ILE . 32.7 p -98.07 129.37 44.91 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.48 -0.933 . . . . 74.44 108.48 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.5 t -152.92 155.21 36.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.774 0.43 . . . . 75.04 110.998 -170.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -104.68 -13.6 15.88 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.352 1.061 . . . . 72.33 109.862 170.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' HG12 ' A' ' 37' ' ' ILE . 6.3 m-20 -75.11 78.96 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.239 1.016 . . . . 74.25 110.929 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -33.93 73.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.336 0.654 . . . . 74.13 111.362 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 123.332 0.653 . . . . 75.35 110.337 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 29.5 tt0 -65.94 -49.06 69.25 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.017 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 33' ' ' ASP . 35.8 mm -62.84 -38.55 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 123.68 0.792 . . . . 75.14 111.484 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.587 HG22 ' HG3' ' A' ' 65' ' ' GLN . 43.2 mt -55.58 -44.17 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.826 0.85 . . . . 73.21 110.537 171.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 28.2 t70 -71.37 -29.68 65.25 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.544 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.36 -29.77 59.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.991 0.516 . . . . 74.23 110.274 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.84 -41.52 97.81 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.192 0.597 . . . . 72.31 109.736 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HZ3' ' NE2' ' A' ' 65' ' ' GLN . 67.6 mttm -59.54 -37.77 79.27 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.352 0.661 . . . . 74.21 111.105 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.7 mtt180 -80.9 -8.23 59.68 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.45 0.7 . . . . 75.35 112.851 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 69' ' ' SER . 10.1 mmm180 65.96 17.52 10.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.505 0.722 . . . . 72.03 111.921 -174.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -21.62 61.54 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.152 0.981 . . . . 73.1 111.872 -178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.412 HG23 ' HB ' ' A' ' 49' ' ' ILE . 49.4 mt -105.14 126.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.45 0.7 . . . . 73.33 109.752 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -83.71 -46.73 11.95 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.282 0.563 . . . . 72.24 109.906 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 ptm -144.23 140.02 29.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.322 -0.854 . . . . 74.3 109.497 -175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' HB ' HG23 ' A' ' 46' ' ' ILE . 7.5 tt -138.58 140.24 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.917 0.887 . . . . 64.15 109.809 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -127.63 117.4 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.1 -1.074 . . . . 72.35 108.1 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 62' ' ' ILE . 49.1 t -109.31 124.77 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.29 0.636 . . . . 75.02 110.644 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -116.33 107.62 15.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.344 0.658 . . . . 75.43 109.4 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 t -165.33 152.47 10.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.219 1.008 . . . . 74.1 108.626 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.54 2.59 56.36 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.026 0.53 . . . . 52.14 110.888 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -86.22 89.55 7.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.63 -0.878 . . . . 74.35 108.63 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 82' ' ' ILE . 21.4 pttm -62.35 -26.8 68.65 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.954 0.902 . . . . 74.34 112.373 -173.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.32 -49.04 68.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.038 0.535 . . . . 74.25 110.345 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -67.12 -40.2 86.78 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.609 0.568 . . . . 73.0 110.183 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.505 HG22 HD12 ' A' ' 75' ' ' ILE . 81.1 mt -52.01 -52.83 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 124.191 0.932 . . . . 74.4 110.317 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.6 t -59.53 -31.08 69.07 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.153 -0.93 . . . . 74.33 111.78 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -70.38 -43.85 69.25 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.839 0.455 . . . . 72.53 110.894 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.498 HG22 HG22 ' A' ' 51' ' ' VAL . 1.8 mp -56.2 -47.92 80.12 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 N-CA-C 109.515 -0.55 . . . . 74.31 109.515 174.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 63.1 mt -61.01 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 123.719 0.637 . . . . 71.24 111.181 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 60' ' ' SER . 61.8 mttp -55.62 -44.36 76.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.939 0.496 . . . . 73.34 110.422 174.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.587 ' HG3' HG22 ' A' ' 38' ' ' ILE . 12.2 mm100 -73.06 -25.29 60.86 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.048 -0.978 . . . . 75.21 112.687 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG12 ' HB ' ' A' ' 73' ' ' VAL . 76.0 t -75.92 -34.06 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.095 0.558 . . . . 63.11 110.624 174.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 79.3 mt -71.31 -38.65 71.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.339 -0.615 . . . . 73.0 109.339 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.63 -39.77 94.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.412 1.085 . . . . 73.41 111.439 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . 77.6 p -82.41 -32.51 29.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.995 0.518 . . . . 63.2 111.388 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.23 37.87 35.85 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.77 -0.65 . . . . 64.51 112.129 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB2' HG13 ' A' ' 66' ' ' VAL . . . -88.03 174.5 8.24 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.648 0.779 . . . . 71.53 110.934 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 132.85 43.51 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.919 -1.141 . . . . 74.24 107.919 175.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.548 ' HB ' HG12 ' A' ' 66' ' ' VAL . 9.8 p -133.81 137.84 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-O 121.492 0.663 . . . . 74.24 112.572 -175.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.48 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.2 tp -120.72 126.12 49.37 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.727 1.211 . . . . 71.42 108.03 171.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 95' ' ' THR . 41.1 mm -109.47 127.16 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.559 -0.534 . . . . 73.54 109.559 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -126.31 133.23 51.45 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.555 1.142 . . . . 73.41 108.169 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.2 p -150.6 156.94 42.36 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.883 0.473 . . . . 71.23 109.867 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -82.26 13.58 3.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.93 0.892 . . . . 74.12 112.646 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.476 ' HB3' HD13 ' A' ' 82' ' ' ILE . 21.6 t70 -139.12 128.96 24.86 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.235 0.614 . . . . 72.02 110.214 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.66 -33.17 75.27 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.613 1.165 . . . . 75.05 112.777 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -74.05 -31.43 62.87 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.55 0.34 . . . . 70.55 110.209 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 56' ' ' LYS . 88.1 mt -66.06 -48.01 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.405 -0.591 . . . . 74.12 109.405 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mm -55.1 -41.34 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.017 0.527 . . . . 75.3 110.781 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.17 -48.73 72.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.078 0.551 . . . . 74.41 111.449 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 51.7 p -61.12 -38.74 87.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.843 0.457 . . . . 65.45 111.108 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG23 HG12 ' A' ' 93' ' ' VAL . 22.9 mm -65.88 -37.77 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.35 -0.841 . . . . 75.05 110.918 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -78.98 -25.97 43.39 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.283 0.846 . . . . 73.44 113.283 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.9 pttt -94.16 -20.27 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.381 0.992 . . . . 73.41 111.341 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.19 -52.4 16.69 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.006 -0.738 . . . . 74.23 109.006 163.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.493 ' O ' HG11 ' A' ' 93' ' ' VAL . 51.5 m-85 -120.11 96.37 49.27 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.122 -0.945 . . . . 75.34 108.721 -176.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.13 -17.47 40.39 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.464 2.109 . . . . 74.21 113.819 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -100.68 4.65 43.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.281 0.845 . . . . 75.31 113.281 -174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.531 HG23 HG11 ' A' ' 73' ' ' VAL . 13.4 p -79.75 139.74 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 118.212 0.46 . . . . 71.3 109.929 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -86.29 129.87 34.71 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.348 -0.982 . . . . 74.34 108.348 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 75' ' ' ILE . 46.5 p -137.01 169.1 18.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.002 0.521 . . . . 73.2 110.284 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HD3' ' HB3' ' A' ' 107' ' ' ALA . 52.7 ttt85 -159.23 133.76 7.88 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.959 -1.126 . . . . 73.11 107.959 165.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.73 122.52 18.26 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.413 -0.958 . . . . 73.1 108.413 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.12 103.41 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.673 -1.232 . . . . 71.43 107.673 -176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.22 -50.54 7.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.458 -0.792 . . . . 75.12 110.0 -176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -93.62 152.57 18.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.453 -0.794 . . . . 71.41 109.754 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -59.3 -27.27 65.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.607 1.563 . . . . 73.35 113.295 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.28 -45.25 81.13 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.861 0.465 . . . . 65.2 110.739 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.86 -34.18 75.53 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.31 0.644 . . . . 74.24 111.022 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.631 HG23 HD13 ' A' ' 13' ' ' ILE . 46.1 t -66.31 -54.65 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.316 -0.856 . . . . 70.01 110.501 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.63 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 66.1 pttt -61.73 -37.21 83.37 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.684 0.615 . . . . 74.24 111.358 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.19 -41.81 89.73 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.798 0.439 . . . . 74.33 111.613 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 96' ' ' ARG . . . -64.02 -34.37 77.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.16 0.584 . . . . 73.5 110.774 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 59.3 t -61.29 -57.17 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.003 0.921 . . . . 74.12 109.761 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.17 -35.8 72.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.659 0.599 . . . . 75.54 111.045 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.71 -48.24 80.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.81 0.844 . . . . 70.33 110.085 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.445 ' HB2' HD22 ' A' ' 74' ' ' LEU . 43.6 t80 -64.51 -33.17 75.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.418 1.087 . . . . 75.51 110.731 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 85.1 mt -77.51 -42.91 33.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.516 0.726 . . . . 75.22 112.299 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.9 -22.85 52.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.844 0.458 . . . . 73.05 112.015 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 . . . . . 0 CA--C 1.543 0.678 0 CA-C-N 116.329 -0.396 . . . . 72.4 110.532 169.365 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.2 tptt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.242 -0.281 . . . . 75.24 110.242 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.59 126.73 45.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.867 0.867 . . . . 74.45 108.713 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -129.26 120.08 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.677 -0.861 . . . . 74.04 108.677 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -94.26 126.22 39.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.503 -0.554 . . . . 75.11 109.503 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.2 tp -113.44 135.72 53.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.554 -1.276 . . . . 71.11 107.554 174.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 t -150.47 155.22 39.11 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.855 -0.424 . . . . 74.3 109.855 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.15 -30.37 17.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.369 -0.832 . . . . 73.2 109.468 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.37 124.31 33.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.743 -0.662 . . . . 73.45 109.738 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.77 -38.97 92.69 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.691 0.619 . . . . 73.11 110.952 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.02 -39.65 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.966 0.906 . . . . 74.23 110.57 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.558 HG23 ' HG2' ' A' ' 52' ' ' LYS . 45.1 mm -73.95 -44.73 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.208 -1.36 . . . . 73.43 110.551 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.502 HG23 ' HB ' ' A' ' 30' ' ' THR . 83.3 mt -54.05 -44.65 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.971 0.908 . . . . 73.54 110.56 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.82 -46.3 85.75 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.152 0.981 . . . . 65.45 112.027 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 27.6 mm-40 -71.32 -36.84 71.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.568 0.747 . . . . 72.33 112.678 -176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -71.62 -39.23 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.889 -0.412 . . . . 71.32 109.889 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -64.99 -35.49 81.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.281 0.632 . . . . 71.14 110.56 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -64.97 -58.43 6.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.691 0.796 . . . . 64.44 109.742 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 105' ' ' LYS . 23.6 tptm -56.69 -44.13 81.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.464 1.105 . . . . 72.24 111.382 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -53.88 53.33 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.906 -1.043 . . . . 73.41 111.172 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.43 -35.7 81.72 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.31 0.644 . . . . 71.43 111.628 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -59.35 -43.66 92.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.12 0.568 . . . . 73.4 111.26 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.23 1.91 56.75 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.978 0.733 . . . . 75.21 112.978 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 28.93 63.02 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 113.822 0.289 . . . . 65.13 113.822 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -90.45 114.3 26.42 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.836 0.854 . . . . 74.54 110.937 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.2 95.72 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.768 -0.827 . . . . 63.12 108.768 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 HD12 ' A' ' 112' ' ' LEU . 43.5 mt -125.31 116.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.254 -0.647 . . . . 74.4 109.254 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB3' HG23 ' A' ' 5' ' ' VAL . 24.9 tp60 -76.99 111.8 12.94 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.225 -0.657 . . . . 74.24 109.225 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.502 ' HB ' HG23 ' A' ' 14' ' ' ILE . 10.5 p -96.57 130.27 43.8 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.543 0.737 . . . . 64.41 109.425 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -147.59 160.99 42.03 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.44 0.696 . . . . 73.31 110.738 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -116.24 -25.05 7.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.64 1.176 . . . . 72.3 109.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -81.26 91.04 6.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 121.162 0.506 . . . . 72.31 110.155 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.11 -33.48 75.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.392 1.077 . . . . 72.22 112.46 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.0 -30.08 64.87 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.08 0.552 . . . . 74.14 111.421 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.1 tt0 -61.96 -49.16 77.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.291 -0.633 . . . . 75.44 109.291 169.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.26 -39.99 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 114.729 -1.123 . . . . 74.55 111.565 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.433 HG22 ' HG3' ' A' ' 65' ' ' GLN . 89.2 mt -57.82 -45.57 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.257 1.023 . . . . 73.44 110.602 174.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.43 -36.87 83.76 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.788 -1.096 . . . . 74.33 111.485 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.05 -31.7 61.36 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 73.44 111.054 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD22 ' HB ' ' A' ' 46' ' ' ILE . 88.0 mt -64.23 -35.57 81.25 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.303 0.641 . . . . 70.1 110.452 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.35 -34.09 76.0 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.506 0.722 . . . . 73.51 111.396 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -85.32 -1.16 56.67 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 75.44 112.32 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 62.84 22.14 13.23 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 124.101 0.96 . . . . 75.41 110.567 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -75.29 -20.87 58.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.976 1.31 . . . . 74.31 110.967 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' HB ' HD22 ' A' ' 41' ' ' LEU . 35.4 mt -117.12 128.55 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.061 0.944 . . . . 74.42 109.464 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -90.02 -36.68 14.79 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.843 0.857 . . . . 72.34 110.476 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 ptm -150.79 136.67 18.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.673 -1.149 . . . . 73.44 109.417 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.9 tt -134.49 144.39 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.79 0.836 . . . . 74.52 109.634 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.497 HD13 HG13 ' A' ' 108' ' ' VAL . 62.9 mt -130.55 123.55 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.088 -1.078 . . . . 73.41 108.088 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 62' ' ' ILE . 40.0 t -118.62 119.64 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.383 0.673 . . . . 74.23 110.453 -171.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 13' ' ' ILE . 26.4 tptp -103.91 106.93 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 73.44 108.922 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.425 HG23 HG13 ' A' ' 51' ' ' VAL . 11.6 t -167.62 150.08 5.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.935 . . . . 74.34 109.062 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -97.78 -0.52 45.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.774 0.83 . . . . 71.32 110.34 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -74.58 94.74 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 174.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' ' 82' ' ' ILE . 46.3 mtmt -55.04 -34.25 63.36 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.796 1.238 . . . . 75.31 112.58 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 42.8 mt-10 -74.53 -33.99 62.89 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.102 0.961 . . . . 74.11 110.984 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -67.26 -51.02 58.14 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.645 -0.502 . . . . 71.24 109.645 172.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.3 mt -50.91 -46.21 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 124.546 1.154 . . . . 75.13 110.142 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.9 t -53.15 -52.59 58.25 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.023 -1.444 . . . . 71.3 111.785 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 22.4 mm-40 -65.61 -44.48 86.4 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.367 0.667 . . . . 75.34 111.816 -174.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.506 HG22 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -58.48 -49.6 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 O-C-N 123.695 0.622 . . . . 73.42 110.173 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 75' ' ' ILE . 76.7 mt -60.25 -41.29 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 75.22 111.095 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -56.64 -42.07 78.26 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.198 0.599 . . . . 74.13 110.835 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' A' ' 38' ' ' ILE . 15.4 mm100 -68.09 -34.38 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.406 -0.815 . . . . 73.2 111.506 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 71' ' ' ALA . 94.6 t -76.46 -28.81 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.514 0.725 . . . . 75.45 111.149 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -71.18 -41.32 70.5 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.75 -0.833 . . . . 61.53 108.75 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.25 -43.53 97.76 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 72.12 110.976 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -85.71 -21.9 28.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.263 0.625 . . . . 62.21 112.073 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 33.72 75.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 123.352 0.407 . . . . 73.23 112.144 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 66' ' ' VAL . . . -86.86 -178.88 6.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.543 0.737 . . . . 65.14 111.026 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.33 141.98 29.76 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.735 -0.839 . . . . 74.42 108.735 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.754 HG11 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.07 137.34 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.054 0.454 . . . . 73.34 110.745 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.8 tp -121.45 115.94 23.8 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.354 -0.98 . . . . 73.43 108.354 172.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.538 HG13 HD11 ' A' ' 63' ' ' ILE . 37.7 mm -93.93 123.5 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.251 -0.648 . . . . 73.24 109.251 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 93.7 mt -118.93 120.54 37.58 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.728 -1.212 . . . . 73.45 107.728 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -137.29 141.77 41.93 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.937 -1.134 . . . . 64.24 107.937 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -67.98 -37.99 82.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.727 0.642 . . . . 71.12 110.342 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.432 ' HB3' HD12 ' A' ' 82' ' ' ILE . 18.9 t70 -83.18 118.33 23.53 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.283 -0.871 . . . . 74.25 109.457 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.44 -24.37 62.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.998 -1.001 . . . . 72.2 111.883 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -72.67 -32.73 66.04 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.163 -0.68 . . . . 73.15 109.163 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 56' ' ' LYS . 68.1 mt -65.87 -49.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.406 -0.815 . . . . 62.3 109.111 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.559 HG21 ' HB ' ' A' ' 95' ' ' THR . 27.0 mm -52.43 -44.56 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 123.537 0.523 . . . . 73.3 111.321 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -69.82 -34.57 73.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.41 0.684 . . . . 70.23 111.403 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -68.91 -36.72 78.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.237 0.615 . . . . 73.44 110.09 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 82' ' ' ILE . 45.4 mm -69.97 -28.18 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.044 0.538 . . . . 71.22 110.246 177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -71.01 -44.03 66.71 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.539 0.335 . . . . 73.42 111.843 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.581 ' HZ3' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -68.13 -39.11 82.78 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 120.459 0.171 . . . . 72.52 111.056 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.37 -39.3 65.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.337 0.655 . . . . 75.22 111.135 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -135.69 94.69 14.73 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.722 0.809 . . . . 73.34 109.4 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.18 -22.37 19.22 Favored 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 122.206 1.937 . . . . 74.14 112.814 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -68.49 -31.76 71.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.991 0.917 . . . . 72.51 113.036 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.754 HG23 HG11 ' A' ' 73' ' ' VAL . 7.6 p -77.87 137.96 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.799 0.44 . . . . 65.23 111.653 -173.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.55 116.03 12.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.042 -0.725 . . . . 72.53 109.042 165.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.559 ' HB ' HG21 ' A' ' 83' ' ' ILE . 23.0 p -117.7 153.02 34.07 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 123.791 0.837 . . . . 62.4 109.284 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -162.28 135.07 5.87 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.292 0.637 . . . . 63.22 109.563 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.4 126.08 28.48 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.949 -0.76 . . . . 75.41 108.949 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.63 106.41 4.47 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.972 -1.121 . . . . 71.23 107.972 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.39 -52.11 3.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.742 0.817 . . . . 75.22 109.809 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.04 151.43 22.26 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.384 -1.28 . . . . 71.44 109.33 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -50.63 -33.94 24.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.491 1.516 . . . . 73.05 112.718 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 6.2 pt-20 -69.61 -43.11 73.39 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.619 0.574 . . . . 74.24 110.841 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.51 -35.92 80.91 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.779 0.674 . . . . 75.1 111.162 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.542 HG23 HD12 ' A' ' 13' ' ' ILE . 38.8 t -71.78 -57.86 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.635 0.584 . . . . 71.25 110.484 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 63.6 pttt -64.28 -34.17 77.51 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.503 0.557 . . . . 74.14 112.503 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 1.9 m-20 -72.69 -37.78 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.212 0.605 . . . . 73.54 111.367 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.19 83.29 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.79 0.436 . . . . 72.24 110.626 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 50' ' ' ILE . 76.2 t -60.87 -51.22 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 114.866 -1.061 . . . . 64.33 109.602 175.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 35.7 tt0 -58.85 -39.77 82.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.084 -0.962 . . . . 74.22 112.155 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.0 mt-10 -71.53 -35.43 70.69 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.913 0.885 . . . . 74.33 111.355 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -67.33 -26.05 66.31 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.907 -1.042 . . . . 72.55 109.81 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 28' ' ' ILE . 65.9 mt -82.63 -36.35 26.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.472 1.109 . . . . 74.12 112.012 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.7 mttm -59.93 -46.99 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.53 0.732 . . . . 75.21 111.417 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 115.888 -0.596 . . . . 71.24 110.166 -179.47 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 tptm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.267 0.079 . . . . 74.31 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' MET . 12.0 t -89.12 126.24 42.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.773 1.295 . . . . 74.53 109.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 29' ' ' GLN . 84.3 t -130.37 119.39 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.736 -0.839 . . . . 75.25 108.736 172.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 30' ' ' THR . 88.2 t80 -95.1 145.88 24.68 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.384 -0.599 . . . . 74.55 109.384 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -136.54 135.24 38.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.11 . . . . 74.43 108.899 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.6 t -158.55 159.23 35.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.527 0.731 . . . . 73.05 109.404 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.84 -17.47 24.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.471 0.709 . . . . 63.31 110.701 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.02 130.43 54.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.241 0.617 . . . . 75.51 110.078 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -77.41 -30.62 53.61 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 112.603 0.594 . . . . 74.12 112.603 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.75 -32.47 67.49 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.176 0.512 . . . . 75.31 110.197 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.466 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.9 mm -71.63 -49.62 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 114.981 -1.009 . . . . 64.34 109.917 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.28 -39.92 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.44 111.779 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.26 -36.33 82.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.201 0.6 . . . . 72.4 111.534 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 58.8 mm-40 -70.6 -40.5 73.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.098 0.559 . . . . 65.54 111.477 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 108' ' ' VAL . 71.4 t -68.69 -40.62 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.308 0.38 . . . . 70.04 110.743 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.1 t -69.17 -34.66 75.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.227 0.611 . . . . 74.41 110.867 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -73.1 -43.99 61.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.165 0.586 . . . . 74.13 110.117 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -52.12 64.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.678 0.791 . . . . 75.05 109.918 174.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.98 85.97 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.775 -1.102 . . . . 71.11 111.25 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.49 -53.14 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.437 0.695 . . . . 61.13 111.206 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.1 -35.87 82.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.05 -0.523 . . . . 73.44 111.233 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.43 -14.54 52.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.214 0.45 . . . . 70.3 112.214 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 12.89 70.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.895 -0.392 . . . . 70.25 113.859 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -79.17 122.75 26.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.112 0.565 . . . . 74.13 110.414 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.21 106.53 15.07 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.854 -0.795 . . . . 74.2 108.854 170.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.488 HD13 HD12 ' A' ' 112' ' ' LEU . 46.7 mt -120.8 131.66 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.255 -1.017 . . . . 74.5 108.255 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HB3' HG21 ' A' ' 5' ' ' VAL . 27.9 tp60 -86.19 109.21 18.74 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.59 -0.893 . . . . 72.24 108.59 173.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.539 HG21 ' HB3' ' A' ' 6' ' ' PHE . 21.2 p -97.99 146.69 25.25 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.931 -0.396 . . . . 75.13 109.931 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -145.65 151.29 37.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.353 0.661 . . . . 74.35 111.194 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -97.75 -28.73 13.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.511 0.724 . . . . 64.01 111.27 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -100.5 116.13 31.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.961 0.504 . . . . 73.15 110.727 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.598 ' HZ3' ' HB3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -68.48 -29.23 67.8 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.844 0.858 . . . . 75.13 111.903 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.19 -37.41 80.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.537 0.735 . . . . 72.34 111.32 -172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.0 tt0 -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.173 -1.376 . . . . 71.02 109.572 172.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.94 -39.47 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 114.522 -1.217 . . . . 75.15 111.741 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.597 HG23 ' HG3' ' A' ' 65' ' ' GLN . 96.1 mt -59.09 -42.37 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.429 1.092 . . . . 72.24 109.421 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 29.1 t70 -64.67 -40.87 96.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.511 -1.222 . . . . 73.12 111.045 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 72.7 mtp180 -70.83 -30.14 66.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.464 0.306 . . . . 73.33 111.562 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.25 -33.94 74.02 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.608 0.763 . . . . 74.43 110.49 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' HE3' HG21 ' A' ' 38' ' ' ILE . 95.8 mttt -62.91 -40.7 98.4 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.229 0.612 . . . . 70.45 110.231 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 57.8 mtt180 -77.6 -2.41 35.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.696 0.799 . . . . 74.12 111.61 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 69.26 13.88 8.57 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.976 1.311 . . . . 74.11 111.607 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -25.77 66.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.734 1.214 . . . . 73.25 113.07 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 49' ' ' ILE . 26.6 mt -107.74 130.83 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.973 -0.38 . . . . 72.24 109.973 -171.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.71 -38.77 9.37 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.143 0.496 . . . . 74.02 110.888 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 17.8 ptm -143.9 124.47 14.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.811 -1.181 . . . . 74.53 107.811 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.499 ' HB ' HG23 ' A' ' 46' ' ' ILE . 7.7 tt -130.15 144.49 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.894 0.878 . . . . 70.42 109.368 -171.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.494 HG22 HG21 ' A' ' 108' ' ' VAL . 63.2 mt -128.98 115.73 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.491 -1.3 . . . . 74.52 107.491 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG23 HG21 ' A' ' 62' ' ' ILE . 70.6 t -112.72 119.46 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.187 0.595 . . . . 73.2 109.523 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -105.79 107.93 19.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.23 1.012 . . . . 75.31 108.455 172.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -161.99 152.56 17.39 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.843 0.857 . . . . 74.23 108.927 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.73 -11.02 25.61 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.607 0.763 . . . . 71.41 110.161 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.45 105.86 8.85 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.867 -0.606 . . . . 74.53 109.485 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -53.28 -38.23 62.9 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.765 1.226 . . . . 74.32 112.892 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 13.2 mm-40 -64.18 -48.51 75.66 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.254 -0.647 . . . . 65.34 109.254 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m -62.17 -44.97 95.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.723 0.809 . . . . 74.03 110.903 -176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.491 HG23 HD13 ' A' ' 75' ' ' ILE . 98.9 mt -53.19 -56.95 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.08 -0.964 . . . . 71.42 110.368 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.3 t -59.43 -42.42 91.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.026 -0.988 . . . . 72.14 111.859 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 14.1 mm-40 -61.71 -48.2 81.84 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.9 0.48 . . . . 74.03 110.383 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.566 HG21 HG23 ' A' ' 51' ' ' VAL . 1.7 mp -57.77 -48.77 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.711 0.632 . . . . 70.5 110.269 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 86.4 mt -55.22 -46.13 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 123.601 0.563 . . . . 64.53 110.31 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -57.17 -43.0 82.16 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.142 0.901 . . . . 71.14 110.553 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.597 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.6 mm100 -73.04 -22.74 60.58 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.507 0.723 . . . . 75.03 112.282 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.54 HG11 ' HB ' ' A' ' 73' ' ' VAL . 97.2 t -84.48 -27.68 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.17 0.588 . . . . 73.43 110.484 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 75.2 mt -67.69 -44.2 78.31 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.993 -1.114 . . . . 74.23 107.993 170.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.74 -42.08 78.65 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.407 1.483 . . . . 71.52 110.469 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -79.65 -21.71 44.47 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.793 -0.639 . . . . 54.13 111.928 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.2 28.27 71.94 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 112.024 -0.43 . . . . 71.25 112.024 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB3' HG12 ' A' ' 66' ' ' VAL . . . -99.17 179.14 4.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.389 1.076 . . . . 74.34 111.484 -171.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.82 142.0 28.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.668 0.787 . . . . 71.11 109.497 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.714 HG12 HG22 ' A' ' 93' ' ' VAL . 6.7 p -143.83 139.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.263 0.625 . . . . 75.45 110.342 177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 tp -118.7 111.8 18.96 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.173 0.989 . . . . 73.34 108.556 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.491 HD13 HG23 ' A' ' 59' ' ' ILE . 34.8 mm -88.07 107.29 17.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-N 115.171 -0.922 . . . . 74.23 109.236 173.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.45 121.63 41.42 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.281 -1.007 . . . . 72.12 108.281 170.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 m -138.92 139.87 38.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.214 -1.402 . . . . 63.34 107.214 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 m -69.01 -33.36 73.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.12 0.568 . . . . 54.42 111.462 -174.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.7 130.98 42.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.132 0.973 . . . . 72.05 111.43 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.37 -22.47 59.19 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.503 0.721 . . . . 63.4 112.687 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -76.15 -33.73 59.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 108.867 -0.79 . . . . 71.43 108.867 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.428 ' O ' HG12 ' A' ' 86' ' ' ILE . 55.7 mt -66.15 -50.58 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 109.123 -0.695 . . . . 73.14 109.123 172.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.56 HG22 ' HB ' ' A' ' 95' ' ' THR . 19.7 mm -50.41 -47.08 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.409 0.684 . . . . 74.11 111.107 173.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -65.14 -38.59 91.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.032 0.933 . . . . 74.13 111.162 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.5 m -63.5 -40.76 97.93 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.145 0.578 . . . . 72.4 110.656 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 82' ' ' ILE . 39.2 mm -68.62 -28.12 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.819 -0.628 . . . . 75.32 110.797 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 45.7 mtm180 -77.38 -41.54 39.8 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.041 0.536 . . . . 73.32 112.163 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -31.47 68.69 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.365 0.266 . . . . 75.13 110.792 -176.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.39 -53.19 7.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.98 0.512 . . . . 74.35 110.362 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.46 ' O ' HG11 ' A' ' 93' ' ' VAL . 3.9 m-85 -121.99 96.47 46.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 123.872 0.869 . . . . 74.4 108.886 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.49 -18.06 23.14 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.019 1.812 . . . . 65.15 112.922 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -83.16 -16.18 47.69 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.041 0.936 . . . . 65.4 113.385 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.714 HG22 HG12 ' A' ' 73' ' ' VAL . 7.7 p -79.75 143.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.672 0.389 . . . . 75.15 110.696 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.97 114.33 14.48 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.446 -0.946 . . . . 75.2 108.446 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.56 ' HB ' HG22 ' A' ' 83' ' ' ILE . 7.3 p -120.49 144.07 48.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.832 0.853 . . . . 73.32 109.655 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -159.55 130.56 5.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.072 -0.513 . . . . 71.32 110.155 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -61.81 130.21 44.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.632 -0.713 . . . . 75.0 109.693 169.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.6 3.94 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.684 -1.228 . . . . 74.5 107.684 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -91.13 -52.12 4.98 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.595 0.358 . . . . 75.15 111.021 -175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 t70 -93.47 153.73 18.31 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.721 0.408 . . . . 75.52 110.406 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.466 ' HB3' HD13 ' A' ' 13' ' ' ILE . 49.7 pttt -61.57 -23.42 65.97 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.596 1.158 . . . . 63.12 112.45 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 31.7 mm-40 -61.33 -51.17 69.97 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 74.25 110.322 169.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.64 -31.1 71.56 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.51 -1.223 . . . . 63.04 111.579 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.435 HG22 HD11 ' A' ' 13' ' ' ILE . 60.3 t -69.48 -53.7 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.825 0.45 . . . . 72.04 110.635 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.7 pttt -64.51 -34.17 77.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.696 0.398 . . . . 73.32 110.999 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.4 -42.34 98.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.666 0.787 . . . . 71.44 111.229 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.07 81.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.62 0.768 . . . . 74.31 111.369 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 50' ' ' ILE . 70.7 t -64.79 -56.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.318 -0.856 . . . . 74.23 109.46 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 27.9 tt0 -49.99 -41.83 47.82 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 124.384 1.053 . . . . 72.43 110.689 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 8.9 tp10 -61.72 -52.21 65.22 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.053 -0.976 . . . . 72.32 110.379 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.07 -31.71 67.33 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.378 1.071 . . . . 75.2 111.478 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD12 HD13 ' A' ' 28' ' ' ILE . 58.3 mt -75.55 -49.95 17.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.861 0.865 . . . . 71.52 111.692 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HB2' ' HZ1' ' A' ' 113' ' ' LYS . 9.9 mtmp? -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.501 0.72 . . . . 72.44 111.039 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 11.4 mm-40 . . . . . 0 CA--C 1.551 0.988 0 CA-C-N 115.458 -0.792 . . . . 72.1 111.405 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.8 tptt . . . . . 0 C--O 1.239 0.51 0 N-CA-C 110.219 -0.289 . . . . 70.44 110.219 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.45 ' HB ' HG12 ' A' ' 28' ' ' ILE . 4.2 t -90.74 129.92 40.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.642 -0.873 . . . . 73.53 108.642 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 29' ' ' GLN . 54.9 t -126.76 125.73 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 108.453 -0.943 . . . . 72.55 108.453 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' HB3' HG21 ' A' ' 30' ' ' THR . 58.7 t80 -106.13 108.61 20.21 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.166 0.586 . . . . 71.11 109.742 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.7 tp -94.17 120.86 35.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.793 -1.188 . . . . 74.32 107.793 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 47.7 t -127.16 160.91 29.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.38 0.609 . . . . 75.32 110.571 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.19 -26.1 14.67 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.701 -1.136 . . . . 74.45 110.531 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.7 143.42 51.24 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.441 0.696 . . . . 73.43 111.207 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.49 -46.47 86.0 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.449 1.1 . . . . 74.13 113.224 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 101' ' ' LYS . 48.1 mt-10 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.894 -0.41 . . . . 73.12 109.894 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.52 HG21 ' HG2' ' A' ' 52' ' ' LYS . 19.5 mm -48.67 -51.55 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 O-C-N 124.321 1.013 . . . . 74.55 111.85 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -54.79 -48.43 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.101 0.961 . . . . 72.14 111.201 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.65 -36.62 81.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.874 0.869 . . . . 74.31 112.03 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 17.3 mm-40 -68.48 -47.38 67.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 74.13 111.604 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.528 HG12 HG11 ' A' ' 108' ' ' VAL . 69.2 t -70.11 -36.83 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.662 -0.699 . . . . 74.23 111.033 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -62.09 -47.07 86.29 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.57 0.748 . . . . 63.32 110.885 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -66.33 -47.36 73.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.464 0.706 . . . . 74.01 110.881 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.6 tppt? -55.39 -53.08 60.73 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.756 0.66 . . . . 70.42 110.502 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.89 88.97 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.576 0.548 . . . . 55.42 112.19 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.2 -49.05 73.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.846 0.858 . . . . 73.55 110.88 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.85 -33.99 75.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.734 -0.666 . . . . 62.32 112.067 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 19.1 mm-40 -80.72 -21.43 41.21 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.347 0.259 . . . . 75.12 111.272 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.18 9.54 59.24 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 114.481 0.552 . . . . 64.01 114.481 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -74.34 132.71 42.28 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 117.526 0.663 . . . . 65.43 109.937 172.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.02 105.47 17.84 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 112' ' ' LEU . 14.4 mt -121.13 119.79 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 122.885 0.474 . . . . 75.41 110.173 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.1 tp60 -82.86 110.43 17.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.563 -0.903 . . . . 71.44 108.563 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.511 HG21 ' HB3' ' A' ' 6' ' ' PHE . 36.3 p -97.18 138.01 35.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.898 0.479 . . . . 71.03 109.747 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 t -149.96 163.76 37.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.884 0.874 . . . . 73.44 109.806 -175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.55 -30.16 4.91 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.06 0.944 . . . . 72.11 109.16 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.25 109.36 7.68 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.411 0.684 . . . . 72.43 110.41 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -67.37 -30.62 70.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.282 0.633 . . . . 74.13 112.055 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -61.05 -42.55 98.69 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.344 0.658 . . . . 74.32 110.957 -172.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.9 tp10 -57.82 -52.14 66.69 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.307 1.005 . . . . 74.31 109.733 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.46 HD13 HG12 ' A' ' 5' ' ' VAL . 36.8 mm -66.01 -39.31 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.749 -1.114 . . . . 74.14 112.213 -171.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.494 HG23 ' HG3' ' A' ' 65' ' ' GLN . 91.4 mt -59.52 -41.56 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.322 1.049 . . . . 74.4 109.977 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 31.0 t70 -75.86 -26.57 57.24 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.354 -0.839 . . . . 72.41 111.397 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 52.4 mtp85 -72.69 -33.11 66.27 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 109.781 -0.452 . . . . 75.43 109.781 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 mt -68.59 -31.31 70.4 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.883 -0.599 . . . . 74.3 109.963 172.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 8.9 mtpm? -66.46 -34.18 77.36 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.492 0.717 . . . . 74.14 111.474 169.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 60.5 mtt180 -77.32 -7.24 55.69 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.294 0.637 . . . . 73.34 111.33 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 63.76 17.91 10.79 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.397 1.079 . . . . 74.42 110.506 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -68.71 -28.81 67.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.527 . . . . 75.41 112.144 -168.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.493 HG23 ' HB ' ' A' ' 49' ' ' ILE . 36.4 mt -100.49 124.16 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.385 -0.825 . . . . 74.32 110.166 -170.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.6 -37.68 20.83 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.839 0.855 . . . . 74.42 110.411 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.478 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 19.4 ptm -151.41 140.2 20.85 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.658 -1.156 . . . . 75.52 109.067 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.493 ' HB ' HG23 ' A' ' 46' ' ' ILE . 9.6 tt -140.21 141.39 33.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.629 0.772 . . . . 74.02 109.367 -172.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.465 HD13 HG12 ' A' ' 108' ' ' VAL . 64.6 mt -126.04 118.0 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.072 -1.085 . . . . 74.34 108.072 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 62' ' ' ILE . 35.8 t -108.13 109.72 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 123.267 0.627 . . . . 74.22 109.435 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HG2' HG21 ' A' ' 13' ' ' ILE . 23.4 tptp -96.93 109.36 22.11 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.375 -0.972 . . . . 74.04 108.375 170.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.452 HG21 HG11 ' A' ' 51' ' ' VAL . 9.2 t -169.28 157.03 7.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.66 0.784 . . . . 75.24 109.735 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -102.09 -5.57 24.34 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.683 0.793 . . . . 74.13 109.023 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.41 109.26 14.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.537 0.735 . . . . 74.03 109.971 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -59.54 -31.84 69.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.007 1.323 . . . . 75.41 112.564 -174.465 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.359 0.664 . . . . 74.34 111.191 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 m -63.11 -47.9 80.82 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.921 0.391 . . . . 74.41 110.041 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.26 -49.13 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 114.858 -1.064 . . . . 73.55 110.622 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 26.2 t -57.05 -56.01 27.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.105 0.962 . . . . 70.14 111.712 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 27.4 mm-40 -59.69 -49.83 76.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.446 0.698 . . . . 73.44 111.653 -174.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.506 HG22 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -58.1 -48.19 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 118.9 -0.572 . . . . 74.41 110.864 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 90.7 mt -55.44 -45.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 123.206 0.316 . . . . 75.54 110.646 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 60' ' ' SER . 92.8 mttt -55.88 -45.17 78.63 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.922 0.764 . . . . 74.44 110.93 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.9 mm100 -67.99 -32.84 73.53 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.105 -0.952 . . . . 74.21 111.99 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 73' ' ' VAL . 92.0 t -74.64 -35.66 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.28 0.632 . . . . 73.53 110.63 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.8 mt -59.91 -37.53 79.7 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.046 0.539 . . . . 72.42 109.642 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.18 -42.25 80.22 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.133 -0.94 . . . . 71.32 111.34 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 t -88.78 -13.16 40.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.059 0.544 . . . . 74.15 112.157 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 22.58 75.84 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 114.135 0.414 . . . . 75.13 114.135 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' HB3' HG11 ' A' ' 66' ' ' VAL . . . -81.5 164.42 21.99 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 71.41 111.585 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -79.03 124.42 28.26 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.446 -0.946 . . . . 75.21 108.446 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.611 ' HB ' HG13 ' A' ' 66' ' ' VAL . 4.7 p -121.84 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.989 0.423 . . . . 71.23 110.775 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' A' ' 94' ' ' GLU . 27.5 tp -118.96 120.87 38.55 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.53 -0.915 . . . . 71.2 108.53 173.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.594 ' HB ' HG22 ' A' ' 95' ' ' THR . 50.4 mm -100.66 114.88 40.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.843 -0.799 . . . . 64.21 108.843 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 98.3 mt -108.87 120.05 41.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.252 -1.018 . . . . 72.54 108.252 175.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -139.23 141.68 37.87 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.961 -0.755 . . . . 73.12 108.961 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.0 m -66.67 -26.88 67.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.333 0.653 . . . . 72.43 111.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.15 119.42 34.6 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 121.723 0.773 . . . . 73.35 110.403 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 12.1 pt-20 -75.11 -14.21 60.55 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.161 -0.927 . . . . 65.15 111.429 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.17 -27.69 38.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.963 -0.384 . . . . 71.31 109.963 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.417 HD13 ' HE2' ' A' ' 56' ' ' LYS . 78.3 mt -62.28 -54.61 31.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 N-CA-C 107.413 -1.328 . . . . 75.4 107.413 165.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' A' ' 95' ' ' THR . 41.2 mm -50.67 -47.05 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 O-C-N 124.498 1.124 . . . . 72.33 111.595 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.89 -39.26 83.67 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.31 0.644 . . . . 74.55 112.029 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.9 p -71.11 -33.49 70.19 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.725 0.297 . . . . 62.41 111.286 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.499 HG23 HG12 ' A' ' 93' ' ' VAL . 41.8 mm -68.65 -33.34 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.314 0.646 . . . . 73.41 110.246 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -69.54 -41.36 76.04 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.637 0.775 . . . . 75.32 112.136 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -73.68 -36.8 65.34 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 117.866 0.303 . . . . 73.53 110.914 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.55 -48.28 41.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.926 0.49 . . . . 74.54 110.373 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' HG11 ' A' ' 93' ' ' VAL . 48.2 m-85 -115.68 101.01 54.15 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.367 -0.975 . . . . 75.13 108.367 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -65.25 -32.77 50.88 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.365 2.043 . . . . 73.32 113.956 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -102.74 6.82 39.64 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.037 0.754 . . . . 75.15 113.037 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 73' ' ' VAL . 10.6 p -76.76 145.33 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.955 -0.387 . . . . 71.51 109.955 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.508 ' HG3' HD13 ' A' ' 74' ' ' LEU . 11.9 tp10 -92.86 132.95 36.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.62 -0.881 . . . . 63.43 108.62 172.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.594 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.4 p -144.23 152.83 41.38 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.403 0.681 . . . . 61.01 109.513 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -160.47 139.12 10.27 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.532 -0.914 . . . . 74.33 108.532 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.495 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 49.9 ttp180 -68.75 129.72 40.74 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.507 -0.923 . . . . 74.43 108.507 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -144.65 107.29 4.43 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.072 -1.085 . . . . 71.41 108.072 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -94.54 -54.26 3.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.686 . . . . 73.41 110.015 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 104' ' ' VAL . 6.0 t70 -95.91 154.99 16.94 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.753 -0.658 . . . . 72.2 110.185 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.485 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.6 pttm -60.89 -29.79 69.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.016 1.326 . . . . 72.22 112.558 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.1 pt-20 -69.92 -42.04 73.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.354 0.409 . . . . 73.24 111.039 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.79 -33.32 75.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.028 0.531 . . . . 75.41 111.526 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 13' ' ' ILE . 99.2 t -72.41 -51.48 28.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 116.257 -0.429 . . . . 63.32 110.755 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 pttt -65.56 -31.67 72.84 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.355 0.409 . . . . 75.31 111.2 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.74 -46.49 87.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.714 0.806 . . . . 71.34 111.33 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.42 72.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.222 0.609 . . . . 74.02 111.768 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.528 HG11 HG12 ' A' ' 17' ' ' VAL . 71.0 t -69.19 -54.21 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.27 0.628 . . . . 72.14 109.934 174.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.69 -49.25 65.68 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.169 0.988 . . . . 74.31 111.472 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.91 -43.72 98.16 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.877 -1.056 . . . . 73.24 111.014 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.51 -37.86 87.69 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.814 0.846 . . . . 74.44 110.974 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 28' ' ' ILE . 72.9 mt -72.03 -42.86 65.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.989 0.916 . . . . 74.51 111.498 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -70.3 -36.79 74.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.817 0.447 . . . . 75.53 111.13 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 122.927 0.491 . . . . 71.34 111.562 175.507 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.446 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 52.7 tptt . . . . . 0 C--O 1.241 0.649 0 N-CA-C 109.749 -0.463 . . . . 74.01 109.749 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.59 121.73 45.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.297 -1.001 . . . . 62.14 108.297 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.8 137.23 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.232 0.613 . . . . 71.1 109.825 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 30' ' ' THR . 68.3 t80 -111.55 111.45 22.46 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.235 -0.654 . . . . 74.52 109.235 170.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 37' ' ' ILE . 51.8 tp -95.83 136.37 36.33 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.757 -0.831 . . . . 73.53 108.757 171.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 41.4 t -159.58 137.92 10.48 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.703 0.801 . . . . 72.41 109.528 172.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.37 -25.92 58.08 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.5 0.72 . . . . 74.03 111.205 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.05 130.42 46.2 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.185 0.594 . . . . 72.31 109.963 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.453 ' HA ' HD13 ' A' ' 14' ' ' ILE . 24.9 tp60 -65.21 -41.14 94.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.361 1.064 . . . . 74.45 112.222 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.53 -32.2 73.4 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.686 0.394 . . . . 71.14 110.733 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 101' ' ' LYS . 28.8 mm -64.07 -48.35 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 O-C-N 123.985 0.803 . . . . 74.34 109.45 173.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 11' ' ' GLN . 92.3 mt -56.07 -42.18 71.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-N 114.565 -1.198 . . . . 74.32 110.222 178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 48.5 mt-10 -70.37 -34.4 72.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.913 0.885 . . . . 74.43 111.786 -175.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.4 mm-40 -63.9 -47.8 79.16 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.499 0.499 . . . . 74.33 110.879 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 105' ' ' LYS . 97.4 t -71.01 -43.61 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.172 -0.922 . . . . 71.02 111.176 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -63.76 -44.01 94.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.435 1.094 . . . . 63.41 111.136 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 24.7 tptp -64.22 -48.01 77.5 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 123.769 0.668 . . . . 74.24 111.192 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -70.22 -32.76 70.78 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.6 0.563 . . . . 75.13 111.331 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -35.93 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.896 -0.593 . . . . 62.54 110.074 173.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.7 -44.38 86.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.515 0.726 . . . . 72.12 110.307 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 9.0 mm-40 -57.14 -42.98 82.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.406 0.682 . . . . 63.15 111.755 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -92.11 -10.82 37.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.94 -0.573 . . . . 73.44 112.453 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.37 21.39 73.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.937 -0.368 . . . . 61.04 113.659 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.27 111.89 4.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.755 0.822 . . . . 74.42 110.074 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 87.58 2.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.277 0.631 . . . . 71.41 109.503 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.31 123.42 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.203 -0.908 . . . . 73.42 109.645 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -82.5 119.88 24.78 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.407 -0.96 . . . . 75.43 108.407 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 6' ' ' PHE . 21.1 p -100.37 142.45 31.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.189 0.595 . . . . 64.24 110.116 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB3' HD13 ' A' ' 37' ' ' ILE . 35.9 t -147.84 153.12 38.74 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.758 0.823 . . . . 75.35 109.606 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' SER . 39.8 t-20 -104.88 -45.3 4.6 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.399 1.08 . . . . 71.03 108.904 171.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.63 111.4 7.75 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.638 0.775 . . . . 73.24 110.531 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HE2' ' HB3' ' A' ' 58' ' ' SER . 0.0 OUTLIER -69.4 -21.99 63.73 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.521 -0.763 . . . . 74.33 112.217 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -65.3 -38.81 91.37 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.079 0.399 . . . . 73.4 110.512 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.65 -47.84 84.46 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.235 1.014 . . . . 44.54 110.355 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.478 HG13 HD12 ' A' ' 7' ' ' LEU . 42.8 mm -59.39 -52.6 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 114.455 -1.248 . . . . 74.42 111.963 -175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 91.3 mt -60.14 -36.52 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 73.53 110.274 -177.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 17.9 t70 -62.62 -46.9 86.11 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.31 1.006 . . . . 62.01 110.873 175.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.3 -31.13 70.34 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.895 0.478 . . . . 74.34 110.989 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 94.9 mt -68.55 -34.27 75.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.366 0.666 . . . . 75.24 110.862 174.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 66.5 mttm -58.49 -40.06 81.75 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.318 0.647 . . . . 74.25 110.517 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 45.7 mtt180 -88.21 -7.72 56.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.959 -1.019 . . . . 73.54 111.48 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER 63.1 30.99 16.08 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.488 1.115 . . . . 75.53 109.664 -175.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -66.72 -30.25 70.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.582 0.753 . . . . 73.14 110.873 174.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.448 ' HB ' HD22 ' A' ' 41' ' ' LEU . 49.6 mt -102.28 127.6 55.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.776 0.83 . . . . 73.32 109.292 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 23.4 t70 -95.85 -33.69 12.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.63 0.772 . . . . 63.13 111.063 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.485 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 20.7 ptm -151.38 137.61 18.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.697 0.799 . . . . 75.4 108.962 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 12.9 tt -142.72 149.4 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.164 0.507 . . . . 74.34 110.687 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 108' ' ' VAL . 70.6 mt -127.78 116.46 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.105 -1.072 . . . . 71.24 108.105 176.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.494 HG22 HG21 ' A' ' 62' ' ' ILE . 57.4 t -107.55 111.98 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.197 0.999 . . . . 74.04 110.02 -175.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 13' ' ' ILE . 26.7 tptp -103.76 107.07 17.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.73 -0.841 . . . . 74.11 108.73 171.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 t -171.35 162.63 6.81 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.909 0.883 . . . . 52.45 108.654 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -101.91 -4.67 25.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.578 0.751 . . . . 73.2 110.038 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -70.94 92.02 0.9 Allowed 'General case' 0 C--N 1.348 0.524 0 N-CA-C 109.214 -0.661 . . . . 62.55 109.214 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -55.67 -31.77 62.68 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.321 1.048 . . . . 72.53 112.419 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.9 mt-10 -60.95 -47.49 86.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.878 0.871 . . . . 73.43 111.434 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.502 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 78.1 p -69.61 -51.78 31.93 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.217 -0.29 . . . . 75.22 110.217 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 75' ' ' ILE . 86.5 mt -46.53 -55.37 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 124.635 1.209 . . . . 74.12 111.285 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -54.06 -51.89 62.64 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 124.766 1.291 . . . . 73.14 111.19 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 47.8 mm-40 -61.64 -41.78 97.98 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.918 0.761 . . . . 72.4 111.774 -176.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.494 HG21 HG22 ' A' ' 51' ' ' VAL . 1.7 mp -57.48 -51.01 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 123.473 0.483 . . . . 72.45 109.996 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 59.7 mt -59.13 -45.23 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 123.737 0.648 . . . . 74.3 110.703 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -55.86 -44.09 77.72 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.972 0.909 . . . . 73.01 110.447 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 16.6 mm100 -68.44 -35.16 77.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.752 -1.113 . . . . 72.41 111.251 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 73' ' ' VAL . 57.1 t -71.3 -30.5 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.442 0.697 . . . . 73.53 110.673 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 85.4 mt -66.72 -40.21 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.102 0.561 . . . . 74.14 109.868 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.09 -41.76 73.65 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.49 0.716 . . . . 63.32 111.363 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.512 ' HB2' ' HG2' ' A' ' 44' ' ' ARG . 79.8 p -79.72 -25.02 41.25 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.191 0.597 . . . . 75.32 111.194 -173.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.15 43.88 69.44 Favored Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.245 -0.742 . . . . 73.23 111.245 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.434 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -100.29 -173.58 2.46 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.996 0.918 . . . . 72.32 110.604 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.3 mppt? -105.28 145.19 31.02 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.562 -0.903 . . . . 75.12 108.562 169.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.81 HG12 HG22 ' A' ' 93' ' ' VAL . 7.7 p -145.67 137.3 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 122.835 0.454 . . . . 74.41 111.191 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.34 133.2 56.25 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.124 -1.065 . . . . 75.11 108.124 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.527 HD13 HG21 ' A' ' 59' ' ' ILE . 39.8 mm -111.57 117.76 55.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.057 -0.72 . . . . 74.33 109.057 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.8 mt -116.57 126.32 53.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.476 1.11 . . . . 65.2 108.434 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 m -145.25 144.37 30.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.794 -1.187 . . . . 71.1 107.794 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -67.77 -42.75 81.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.749 0.42 . . . . 72.33 110.317 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.02 119.26 18.95 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.648 0.779 . . . . 54.43 111.188 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.81 69.49 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.2 1.0 . . . . 54.5 112.371 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -62.61 -41.93 99.28 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.285 0.634 . . . . 73.31 110.112 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' HG12 ' A' ' 86' ' ' ILE . 73.2 mt -72.36 -43.53 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.19 -0.914 . . . . 74.55 110.455 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.596 HG21 ' HE ' ' A' ' 87' ' ' ARG . 39.9 mm -60.5 -41.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.4 0.28 . . . . 72.52 110.981 176.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.6 -45.63 93.28 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.579 0.752 . . . . 75.05 110.45 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.616 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 54.3 m -58.91 -46.53 87.7 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 123.86 0.725 . . . . 74.54 111.657 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 82' ' ' ILE . 32.8 mm -67.74 -32.38 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 122.694 0.398 . . . . 74.33 110.81 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' HE ' HG21 ' A' ' 83' ' ' ILE . 51.5 mtm180 -69.9 -40.84 75.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.824 0.45 . . . . 75.21 112.05 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.1 pttt -81.86 -33.87 30.4 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 111.617 0.228 . . . . 75.23 111.617 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.84 -36.76 59.52 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.973 0.416 . . . . 74.1 110.222 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG11 ' A' ' 93' ' ' VAL . 58.9 m-85 -133.04 95.3 18.95 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 124.007 0.923 . . . . 73.01 109.141 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.74 -26.72 11.2 Favored 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 121.987 1.791 . . . . 73.32 113.068 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.88 1.94 50.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.448 0.699 . . . . 75.42 112.784 -171.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.81 HG22 HG12 ' A' ' 73' ' ' VAL . 9.1 p -92.72 148.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.058 0.543 . . . . 74.52 109.941 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -78.58 134.57 37.21 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 108.958 -0.756 . . . . 73.31 108.958 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.463 HG23 ' HB ' ' A' ' 75' ' ' ILE . 12.1 p -141.64 148.14 38.7 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.872 0.869 . . . . 75.51 109.657 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -158.87 141.29 14.07 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.976 0.91 . . . . 72.11 108.738 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -71.03 126.27 29.12 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.738 -0.838 . . . . 75.52 108.738 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.59 103.49 4.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.206 -1.035 . . . . 70.03 108.206 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -96.6 -42.33 8.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.872 0.869 . . . . 75.21 110.243 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -92.04 149.8 21.32 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.992 -0.744 . . . . 72.51 108.992 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.48 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -62.8 -25.68 68.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.97 0.908 . . . . 74.22 112.236 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.45 -44.18 83.49 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 109.148 -0.686 . . . . 74.41 109.148 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.33 -36.44 71.15 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 123.49 0.716 . . . . 73.12 111.031 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HG21 ' A' ' 108' ' ' VAL . 39.3 t -65.71 -58.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 124.23 0.956 . . . . 64.35 110.447 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.3 pttt -64.63 -32.36 73.99 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.791 0.682 . . . . 75.22 111.503 -174.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.24 -55.17 36.95 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 123.432 0.458 . . . . 74.51 110.841 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.69 71.0 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.879 0.737 . . . . 75.21 111.766 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 50' ' ' ILE . 53.6 t -62.36 -55.98 20.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.783 0.833 . . . . 75.24 109.861 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.55 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 42.9 tt0 -64.2 -37.06 86.13 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.536 -0.757 . . . . 72.45 110.941 -176.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.04 -37.83 88.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.5 0.72 . . . . 73.53 110.474 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -63.72 -35.82 81.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.481 0.712 . . . . 72.34 109.937 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 68.1 mt -72.14 -40.71 67.87 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.068 -0.969 . . . . 72.11 110.957 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.55 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 99.3 mttt -61.21 -41.14 96.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.703 0.801 . . . . 75.54 112.441 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.479 0.995 0 C-N-CA 122.868 0.467 . . . . 70.33 112.088 -177.067 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 C--O 1.243 0.747 0 N-CA-C 109.066 -0.716 . . . . 74.32 109.066 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.4 ' HB ' HG12 ' A' ' 28' ' ' ILE . 20.2 t -88.27 129.75 38.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 108.166 -1.05 . . . . 72.22 108.166 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.6 t -122.07 114.21 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 108.702 -0.851 . . . . 75.34 108.702 171.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' A' ' 30' ' ' THR . 75.6 t80 -92.84 104.26 16.53 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.518 0.675 . . . . 72.12 109.412 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.3 tp -101.89 131.07 48.47 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.913 1.285 . . . . 73.21 108.72 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 62.0 m -151.58 155.48 38.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.0 0.52 . . . . 74.21 111.734 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.11 -41.48 17.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.419 1.088 . . . . 73.2 111.052 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.61 134.83 34.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.162 0.585 . . . . 73.03 110.405 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -71.24 -41.18 70.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.137 0.975 . . . . 72.44 112.516 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.73 -36.2 71.72 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.12 0.568 . . . . 74.42 110.268 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 104' ' ' VAL . 48.6 mm -62.63 -53.13 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 114.902 -1.045 . . . . 63.0 110.473 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.82 -44.79 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.33 1.052 . . . . 74.43 110.885 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.11 -45.43 85.16 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.12 111.804 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 20.6 mm-40 -65.49 -42.4 92.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.716 0.806 . . . . 74.32 112.032 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.22 -37.79 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 115.874 -0.603 . . . . 71.3 111.141 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -64.87 -35.73 82.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.733 0.813 . . . . 65.53 110.852 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -66.57 -42.69 86.65 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.209 -0.905 . . . . 74.33 110.057 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -65.24 -38.53 90.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.115 -0.493 . . . . 74.41 111.269 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' A' ' 28' ' ' ILE . . . -62.25 -30.59 71.22 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 71.52 111.195 177.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.64 -54.68 8.39 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 72.3 111.183 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.06 -45.96 89.74 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.201 1.0 . . . . 73.2 112.069 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.81 -23.91 59.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.522 0.729 . . . . 75.13 110.992 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.43 32.01 52.74 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.349 -0.387 . . . . 73.44 113.135 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.05 140.41 47.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.296 0.638 . . . . 64.01 110.03 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -87.73 85.55 7.07 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.034 -0.728 . . . . 62.25 109.034 173.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 21' ' ' ALA . 24.5 mt -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 115.606 -0.725 . . . . 74.22 109.649 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HB3' HG22 ' A' ' 5' ' ' VAL . 59.2 tp60 -91.82 114.54 27.11 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 107.922 -1.14 . . . . 74.34 107.922 165.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 6' ' ' PHE . 43.8 p -97.06 146.15 25.29 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.294 -0.632 . . . . 74.0 109.294 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -160.15 162.1 33.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.158 0.583 . . . . 74.42 110.904 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' SER . 24.2 t-20 -112.42 -47.38 3.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.384 1.074 . . . . 72.3 109.631 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.15 98.66 1.37 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.605 -1.179 . . . . 74.41 111.019 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 7.7 ptpp? -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.835 -1.075 . . . . 73.23 113.484 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.35 -22.22 63.77 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.345 0.403 . . . . 75.44 111.074 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 8.2 tp10 -67.34 -43.65 81.03 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.695 0.798 . . . . 64.32 109.904 170.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -77.62 -35.02 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.104 . . . . 75.13 111.748 -175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 65' ' ' GLN . 71.2 mt -58.98 -34.65 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.567 1.147 . . . . 74.41 109.712 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.534 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 14.7 t70 -63.7 -36.81 85.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.711 0.805 . . . . 74.43 110.801 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' NH1' ' HG3' ' A' ' 36' ' ' GLU . 64.6 mtt85 -81.59 -23.67 36.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.642 . . . . 71.11 111.575 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.69 -31.92 68.98 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.229 0.611 . . . . 75.55 110.107 168.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 55.1 mtpt -70.22 -29.1 65.84 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.047 0.939 . . . . 74.53 110.736 172.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 75.5 mtt180 -78.32 -15.77 58.4 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 75.22 111.048 174.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 24.12 13.66 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.297 1.039 . . . . 74.24 111.041 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -99.34 10.68 40.95 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.52 0.728 . . . . 75.24 112.433 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.97 129.54 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 108.402 -0.962 . . . . 72.01 108.402 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -84.0 -47.39 11.03 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.603 0.716 . . . . 71.14 110.098 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 ptm -145.49 137.41 25.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.042 -0.981 . . . . 72.13 109.384 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 tt -131.02 145.74 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.921 0.888 . . . . 74.12 109.213 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 108' ' ' VAL . 61.6 mt -123.83 132.06 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.683 1.193 . . . . 74.02 107.939 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.23 109.93 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.969 -0.752 . . . . 74.23 108.969 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 25.3 tptp -108.02 107.48 18.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.577 0.703 . . . . 74.2 109.148 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -150.99 -161.37 1.32 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.075 -1.454 . . . . 72.42 107.075 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -146.09 33.04 1.0 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -132.63 113.09 12.61 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.504 0.722 . . . . 74.24 109.898 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HZ1' ' HB2' ' A' ' 56' ' ' LYS . 9.5 mtmp? -58.64 -31.06 67.77 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.412 1.085 . . . . 75.23 112.498 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.97 -48.03 59.91 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.635 0.774 . . . . 74.55 110.719 -173.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.621 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . 46.0 p -66.72 -40.33 88.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.717 0.807 . . . . 75.35 111.073 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 75' ' ' ILE . 92.2 mt -54.63 -48.25 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 O-C-N 124.283 0.989 . . . . 74.33 110.202 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.4 t -59.74 -35.55 74.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.773 1.229 . . . . 72.24 111.962 -174.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.39 -48.83 73.97 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.222 0.609 . . . . 72.43 111.199 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.2 -44.94 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 115.509 -0.769 . . . . 74.53 109.79 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 60.4 mt -58.74 -40.92 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 123.658 0.599 . . . . 72.31 110.96 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' SER . 64.2 mttp -56.2 -47.27 78.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.34 110.061 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG3' HG21 ' A' ' 38' ' ' ILE . 13.3 mm100 -65.24 -33.25 75.54 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 115.193 -0.912 . . . . 71.42 111.686 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.597 HG11 ' HB ' ' A' ' 73' ' ' VAL . 95.7 t -79.45 -22.95 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.3 0.64 . . . . 75.31 110.904 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.8 mt -70.73 -34.09 71.52 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.246 -0.65 . . . . 73.35 109.246 173.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -73.0 -38.95 66.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.901 0.88 . . . . 73.22 111.777 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.437 ' HG ' ' HA ' ' A' ' 66' ' ' VAL . 70.8 p -85.72 -32.73 21.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.829 0.452 . . . . 65.02 111.805 -175.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.81 26.01 65.84 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.883 -0.599 . . . . 64.42 113.037 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.8 172.02 14.34 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.748 0.819 . . . . 73.2 111.534 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -83.59 120.67 26.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.95 -1.129 . . . . 75.5 107.95 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.597 ' HB ' HG11 ' A' ' 66' ' ' VAL . 6.1 p -118.02 132.77 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.875 0.47 . . . . 74.44 110.251 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.41 129.41 56.55 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.264 -1.013 . . . . 73.51 108.264 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' HG22 ' A' ' 95' ' ' THR . 36.6 mm -115.45 108.55 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.583 -0.895 . . . . 74.04 108.583 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.5 mt -104.05 124.08 48.4 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.221 1.008 . . . . 72.34 108.635 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.3 m -139.13 148.18 42.9 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.679 -0.86 . . . . 75.04 108.679 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -83.4 10.53 8.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.104 0.562 . . . . 72.53 112.269 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.49 130.04 36.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.253 0.621 . . . . 72.45 110.394 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.35 -35.15 78.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.711 1.204 . . . . 73.53 113.04 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -76.99 -32.95 57.59 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.884 0.474 . . . . 74.14 110.416 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.523 HG22 ' HG2' ' A' ' 56' ' ' LYS . 52.7 mt -66.88 -47.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.621 0.768 . . . . 72.3 109.81 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 30.3 mm -56.24 -44.17 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.404 0.681 . . . . 73.34 110.038 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.1 -41.23 99.33 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.994 0.917 . . . . 61.23 111.366 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.452 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.8 m -60.26 -44.39 95.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.22 0.608 . . . . 71.3 111.028 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.512 HG23 HG13 ' A' ' 93' ' ' VAL . 47.7 mm -69.39 -31.23 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.947 -0.57 . . . . 74.42 110.635 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 21.3 mtm180 -69.58 -42.43 74.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.127 0.571 . . . . 74.54 112.266 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 62.0 pttt -80.93 -36.7 30.66 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.865 0.32 . . . . 75.24 111.865 -174.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.19 -40.46 71.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.87 0.468 . . . . 72.42 110.677 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.417 ' O ' HG12 ' A' ' 93' ' ' VAL . 12.3 m-85 -122.18 101.84 40.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 108.308 -0.997 . . . . 71.24 108.308 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.14 -32.81 26.6 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.321 2.014 . . . . 75.35 113.563 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.502 ' HZ1' ' HB2' ' A' ' 92' ' ' LYS . 9.6 mtmp? -102.41 15.18 29.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.007 0.743 . . . . 74.33 113.007 -169.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 HG11 ' A' ' 73' ' ' VAL . 14.7 p -85.37 146.73 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.577 -0.527 . . . . 72.41 109.577 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -91.26 114.17 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.741 -1.207 . . . . 72.55 107.741 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.523 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.2 p -118.37 152.95 34.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.223 0.609 . . . . 73.43 109.828 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -160.04 134.51 7.58 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.185 -1.043 . . . . 75.55 108.185 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.09 138.83 54.64 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.188 -0.671 . . . . 73.53 109.188 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.88 116.71 6.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.114 -1.439 . . . . 71.12 107.114 173.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -96.27 -57.28 2.37 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.124 0.488 . . . . 74.24 109.847 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 104' ' ' VAL . 7.2 t70 -91.93 159.72 15.62 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.519 -0.764 . . . . 61.11 110.509 -176.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.83 -32.83 73.19 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.159 1.384 . . . . 70.3 112.578 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.1 pt-20 -67.81 -41.01 83.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.636 0.775 . . . . 73.02 110.435 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.1 -40.39 93.56 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.702 0.801 . . . . 71.01 110.842 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.637 HG21 HD12 ' A' ' 13' ' ' ILE . 57.9 t -67.07 -51.64 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.881 0.738 . . . . 74.1 111.176 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 59.1 pttt -68.52 -32.16 71.91 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.172 0.434 . . . . 74.21 112.172 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -65.57 -38.21 88.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.402 0.281 . . . . 73.21 111.218 170.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.58 95.0 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.338 0.655 . . . . 74.31 110.749 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 57.2 t -62.63 -48.86 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.124 0.97 . . . . 72.15 110.034 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 31.1 tt0 -55.72 -46.42 77.73 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.921 -1.036 . . . . 64.43 111.034 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.11 -35.53 69.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.508 0.723 . . . . 75.41 111.934 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.12 -34.41 74.94 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.538 0.735 . . . . 73.11 109.941 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 34.3 mt -83.77 -45.14 13.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.683 -0.689 . . . . 75.32 112.235 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 63.0 mttm -64.46 -32.92 74.75 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 120.672 0.273 . . . . 74.34 111.67 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 123.152 0.581 . . . . 72.34 111.121 179.199 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.626 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 53.4 tptt . . . . . 0 C--O 1.241 0.611 0 N-CA-C 110.416 -0.216 . . . . 75.21 110.416 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.41 118.52 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.927 -1.138 . . . . 71.33 107.927 170.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.435 HG21 ' HG3' ' A' ' 3' ' ' LYS . 77.5 t -119.74 134.44 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.551 0.741 . . . . 74.42 109.5 175.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.434 ' HB3' HG21 ' A' ' 30' ' ' THR . 81.5 t80 -107.86 117.29 33.73 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.007 -0.738 . . . . 73.01 109.007 165.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 58.9 tp -102.78 138.07 40.15 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.78 -0.822 . . . . 73.52 108.78 172.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB3' HG12 ' A' ' 14' ' ' ILE . 40.1 t -156.31 161.6 40.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.488 0.715 . . . . 70.43 109.575 172.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 34.6 t70 -99.85 -29.71 12.45 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.489 0.661 . . . . 73.52 110.148 174.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.44 116.08 21.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.681 -1.145 . . . . 74.55 109.003 -171.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -54.39 -49.37 70.05 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.819 0.847 . . . . 74.52 112.942 -172.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.86 -54.62 42.38 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.916 0.76 . . . . 65.01 110.237 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.472 HD12 HG22 ' A' ' 104' ' ' VAL . 29.9 mm -46.55 -49.08 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 124.723 1.264 . . . . 74.34 113.294 176.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' HB3' ' A' ' 8' ' ' SER . 68.0 mt -57.21 -47.16 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.161 0.584 . . . . 74.51 110.205 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.13 -27.27 62.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.999 0.92 . . . . 73.11 112.199 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.598 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 10.7 mm-40 -74.6 -44.01 52.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.451 0.7 . . . . 75.3 110.928 -178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 108' ' ' VAL . 97.0 t -75.32 -33.16 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.382 -0.826 . . . . 75.1 110.47 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -68.38 -42.59 78.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.126 0.57 . . . . 74.3 110.717 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -60.3 -46.87 88.34 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.411 -0.589 . . . . 73.23 109.411 175.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 28.5 ttmt -67.37 -29.04 68.46 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.661 -0.699 . . . . 71.32 111.718 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.89 99.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.481 0.313 . . . . 74.11 110.251 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.54 -50.02 60.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.013 0.525 . . . . 74.42 111.253 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.52 -48.25 77.63 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.466 1.106 . . . . 75.31 112.035 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -81.33 -20.07 41.48 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.303 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.32 6.29 68.83 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-O 119.633 -0.537 . . . . 74.01 113.189 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.69 129.15 38.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.557 0.743 . . . . 74.45 110.226 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -79.12 89.39 4.83 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.492 -0.929 . . . . 72.51 108.492 168.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.2 116.89 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.142 -0.688 . . . . 75.43 109.142 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.45 107.46 8.73 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.738 -0.838 . . . . 74.32 108.738 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.434 HG21 ' HB3' ' A' ' 6' ' ' PHE . 10.8 p -97.39 126.66 42.77 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.277 0.631 . . . . 71.25 109.54 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -148.35 159.34 44.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.173 0.589 . . . . 65.01 111.124 -167.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.568 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -114.52 -9.19 12.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.388 1.075 . . . . 71.23 109.073 170.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 37' ' ' ILE . 11.0 m-20 -77.28 77.54 3.81 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.721 0.808 . . . . 74.03 110.027 -176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HZ2' ' HB3' ' A' ' 58' ' ' SER . 18.8 ptpt -59.87 -36.34 76.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.71 0.804 . . . . 70.4 109.915 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.93 -44.24 90.13 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.029 0.932 . . . . 72.32 110.965 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 25.4 tt0 -63.52 -45.05 92.42 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.629 0.581 . . . . 73.21 109.762 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 33' ' ' ASP . 36.1 mm -64.25 -41.66 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.749 -0.66 . . . . 74.22 111.187 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.6 mt -58.21 -40.59 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.717 0.807 . . . . 74.53 110.339 174.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.85 -40.46 91.73 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.439 1.096 . . . . 72.24 111.193 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 23.9 mtp180 -73.13 -28.49 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.243 0.617 . . . . 73.44 110.685 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 46' ' ' ILE . 76.4 mt -73.36 -29.4 62.62 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.756 0.822 . . . . 75.23 110.738 173.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 97.1 mttt -66.55 -29.79 69.95 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.139 0.576 . . . . 75.1 110.592 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -81.56 -16.85 50.4 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.36 -0.836 . . . . 74.4 110.665 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.627 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 66.34 20.78 11.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.779 1.231 . . . . 72.22 111.319 -174.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.36 1.01 34.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.012 0.925 . . . . 72.24 112.479 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.626 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 66.3 mt -111.4 123.35 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 71.03 109.151 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.52 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 14.4 t70 -84.07 -36.36 23.1 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.817 0.847 . . . . 74.34 111.46 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.593 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 17.9 ptm -153.79 144.76 22.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.601 -0.727 . . . . 75.12 110.084 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.6 tt -142.88 145.13 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.495 0.718 . . . . 74.3 110.593 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.52 HD12 HG13 ' A' ' 108' ' ' VAL . 62.1 mt -128.31 122.54 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 108.088 -1.079 . . . . 74.41 108.088 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 62' ' ' ILE . 62.1 t -115.37 122.1 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.964 0.906 . . . . 63.33 110.347 -175.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.7 111.69 20.95 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.649 0.78 . . . . 73.44 110.036 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -170.48 166.13 8.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.293 1.037 . . . . 70.34 108.936 172.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -104.27 1.3 30.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.07 0.548 . . . . 72.35 110.142 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.24 88.84 1.52 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.748 -1.205 . . . . 75.54 107.748 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG2' HG22 ' A' ' 82' ' ' ILE . 53.9 mtpt -56.35 -34.12 66.32 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.485 1.114 . . . . 73.22 112.874 -176.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 44.5 mt-10 -63.09 -50.14 71.72 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.955 0.784 . . . . 74.34 110.614 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.477 ' HB3' ' HZ2' ' A' ' 34' ' ' LYS . 88.4 p -66.51 -47.24 73.6 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.438 0.461 . . . . 74.14 110.798 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 75' ' ' ILE . 86.4 mt -49.32 -51.36 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.131 0.894 . . . . 74.43 110.014 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -56.0 -47.96 76.78 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.445 -1.252 . . . . 75.03 111.902 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 13.8 mm-40 -61.84 -49.3 76.83 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.59 0.556 . . . . 72.22 110.963 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.461 HG23 HG23 ' A' ' 51' ' ' VAL . 1.9 mp -54.01 -48.11 64.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 O-C-N 123.919 0.762 . . . . 73.1 110.752 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.8 mt -61.22 -42.1 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 122.672 0.389 . . . . 73.24 110.92 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.15 -41.61 79.48 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.245 0.618 . . . . 74.51 110.285 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 7.3 mm100 -65.97 -40.04 90.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.265 -0.88 . . . . 73.43 110.602 176.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' A' ' 73' ' ' VAL . 98.5 t -73.65 -26.51 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.789 0.836 . . . . 73.32 111.832 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 93.3 mt -65.83 -42.11 90.97 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.583 -0.895 . . . . 73.33 108.583 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.03 -32.46 67.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.518 -1.219 . . . . 74.23 110.865 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.627 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 9.5 t -82.36 -35.28 27.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.563 0.745 . . . . 63.33 111.735 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.71 27.48 58.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 116.062 -0.517 . . . . 62.42 113.508 -174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -87.53 162.41 17.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.538 0.735 . . . . 71.3 111.445 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.593 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.9 mppt? -83.79 111.17 18.95 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.151 -0.685 . . . . 75.1 109.151 173.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.722 HG13 HG22 ' A' ' 93' ' ' VAL . 5.4 p -112.26 129.35 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.164 0.586 . . . . 74.13 111.137 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.0 tp -115.81 123.29 47.82 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.497 -0.927 . . . . 73.21 108.497 171.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.528 ' HB ' HG23 ' A' ' 95' ' ' THR . 42.1 mm -102.69 126.73 56.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 123.461 0.704 . . . . 75.23 109.31 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -123.56 132.96 54.03 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 124.82 1.248 . . . . 73.21 108.181 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -151.29 148.14 27.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 73.32 108.096 175.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -68.1 -16.24 63.93 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.069 0.548 . . . . 74.5 111.224 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -112.42 128.74 56.4 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.097 0.559 . . . . 65.42 111.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.475 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 12.5 pt-20 -80.84 -11.94 59.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.962 0.905 . . . . 64.11 112.851 -175.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -84.16 -31.39 25.18 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.102 -0.703 . . . . 62.22 109.102 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.415 HG22 ' HG2' ' A' ' 56' ' ' LYS . 71.8 mt -65.57 -47.75 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.804 -0.813 . . . . 72.42 108.804 167.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.546 HG21 ' HB ' ' A' ' 95' ' ' THR . 24.8 mm -56.2 -39.98 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.416 -0.811 . . . . 74.53 111.395 174.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.67 -41.05 84.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.293 0.637 . . . . 75.12 111.169 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.8 m -58.56 -40.14 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.428 0.632 . . . . 74.1 110.664 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.422 HG23 HG11 ' A' ' 93' ' ' VAL . 33.2 mm -70.94 -36.08 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 114.74 -1.118 . . . . 71.45 110.946 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.01 -44.2 89.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.174 0.589 . . . . 74.51 111.859 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.89 -34.49 29.96 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.707 0.403 . . . . 71.03 111.769 -170.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.2 -33.59 59.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.707 0.403 . . . . 74.41 111.002 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.542 ' O ' HG13 ' A' ' 93' ' ' VAL . 21.7 m-85 -129.55 91.93 39.48 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.42 -0.956 . . . . 74.45 108.42 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.19 -25.66 36.9 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.216 1.944 . . . . 73.43 114.478 -175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -97.95 13.61 30.17 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.948 0.721 . . . . 75.24 112.948 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.722 HG22 HG13 ' A' ' 73' ' ' VAL . 13.0 p -90.79 142.36 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 109.874 -0.417 . . . . 75.3 109.874 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -83.24 127.53 33.71 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.273 -1.01 . . . . 74.1 108.273 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.546 ' HB ' HG21 ' A' ' 83' ' ' ILE . 68.3 p -132.49 156.95 45.85 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.105 0.562 . . . . 73.21 110.686 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -160.2 132.35 6.23 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.33 -0.989 . . . . 75.45 108.33 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.55 120.17 22.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.607 -0.886 . . . . 74.23 108.607 170.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.63 106.75 5.73 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.671 -1.233 . . . . 71.2 107.671 -172.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -93.72 -46.68 7.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.576 0.75 . . . . 71.42 110.177 -170.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 145.35 32.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.851 -1.068 . . . . 73.43 109.869 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.528 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 53.8 pttt -64.77 -28.92 69.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.885 0.874 . . . . 75.11 111.688 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -66.28 -41.76 89.39 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.634 -0.712 . . . . 73.43 110.235 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.88 -32.3 72.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.841 0.856 . . . . 73.53 112.321 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.472 HG22 HD12 ' A' ' 13' ' ' ILE . 80.6 t -72.44 -53.79 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.835 0.454 . . . . 64.31 110.752 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.598 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.5 pttt -66.21 -29.31 69.54 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.028 0.205 . . . . 74.12 110.863 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.17 -47.62 85.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.929 0.891 . . . . 74.31 111.182 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.61 81.04 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.347 0.659 . . . . 61.21 111.297 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.52 HG13 HD12 ' A' ' 50' ' ' ILE . 82.6 t -65.15 -59.2 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.466 -0.788 . . . . 74.21 109.676 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 26.3 tt0 -47.82 -48.94 30.4 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.498 1.519 . . . . 73.41 111.629 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.58 -50.45 71.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 113.792 -1.549 . . . . 73.41 111.212 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -57.03 -32.7 66.44 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.326 1.05 . . . . 72.11 111.348 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 40.4 mt -78.38 -39.27 39.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.22 -0.9 . . . . 73.43 111.529 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.477 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 65.4 mttm -71.71 -28.48 63.72 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.767 0.427 . . . . 74.34 111.034 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.131 0.973 . . . . 75.01 111.204 178.325 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.479 ' HA ' ' HZ3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 120.531 0.205 . . . . 75.42 111.39 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -92.59 134.02 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.148 -1.056 . . . . 70.04 108.148 164.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 29' ' ' GLN . 58.4 t -126.78 126.91 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.266 0.626 . . . . 74.22 109.437 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB3' HG23 ' A' ' 30' ' ' THR . 66.0 t80 -102.17 113.89 27.55 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.879 0.472 . . . . 74.24 110.473 174.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HB3' HG23 ' A' ' 51' ' ' VAL . 58.6 tp -95.97 147.27 23.86 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.116 -1.068 . . . . 74.23 108.116 166.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 43.6 t -154.35 171.66 18.93 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.011 0.524 . . . . 63.33 110.177 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.87 -35.25 6.7 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.814 1.246 . . . . 73.14 110.211 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.496 ' HB2' HG12 ' A' ' 13' ' ' ILE . 1.1 m-20 -94.71 130.79 41.07 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 73.41 109.517 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.19 -39.9 93.5 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.895 0.878 . . . . 72.14 111.79 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -50.5 -52.9 34.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.16 0.984 . . . . 64.52 110.952 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.626 HD12 HG23 ' A' ' 104' ' ' VAL . 32.5 mm -53.7 -50.95 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 114.298 -1.319 . . . . 71.35 111.944 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.427 HG22 ' HB ' ' A' ' 30' ' ' THR . 78.8 mt -54.52 -45.93 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.951 0.9 . . . . 74.43 110.575 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.5 -31.21 68.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.057 -0.974 . . . . 60.22 111.98 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 72.2 mm-40 -74.29 -38.66 63.32 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.823 0.449 . . . . 75.1 111.982 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.9 t -71.19 -36.49 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 122.841 0.456 . . . . 73.43 110.252 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -69.6 -35.94 75.75 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.462 0.705 . . . . 71.34 111.116 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -59.87 -51.99 67.35 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.434 1.094 . . . . 74.51 110.633 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 26.0 ttmt -69.96 -33.05 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.699 -0.682 . . . . 74.51 111.09 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -61.9 -37.21 83.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.747 0.419 . . . . 74.42 111.135 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.83 -54.67 17.22 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.981 0.912 . . . . 73.14 110.357 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.86 -37.12 86.21 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.102 0.961 . . . . 74.03 112.357 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -91.36 -9.27 45.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.662 0.785 . . . . 71.55 112.165 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.56 69.63 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.138 0.274 . . . . 52.4 113.498 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.8 m-85 -77.68 135.44 38.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.37 0.668 . . . . 74.3 111.252 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 101.99 7.88 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.465 -0.939 . . . . 64.13 108.465 166.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 21' ' ' ALA . 34.4 mt -135.38 137.28 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 108.831 -0.803 . . . . 64.25 108.831 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.524 ' HG2' HH22 ' A' ' 40' ' ' ARG . 6.7 tp-100 -107.19 114.36 28.35 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.35 -0.982 . . . . 74.33 108.35 171.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 6' ' ' PHE . 26.2 p -96.5 147.23 24.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.815 0.446 . . . . 74.13 110.752 -174.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.502 ' HB3' HD13 ' A' ' 37' ' ' ILE . 38.4 t -159.48 166.34 31.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.673 0.789 . . . . 63.21 111.165 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -124.87 -5.67 7.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.05 1.34 . . . . 63.42 110.741 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -104.51 111.45 24.13 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.882 -0.512 . . . . 61.35 110.228 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -57.86 -40.81 81.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.1 0.96 . . . . 72.44 112.163 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -80.26 -23.74 40.59 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.871 0.468 . . . . 74.2 110.708 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.7 tp10 -57.29 -55.73 31.0 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.38 -0.971 . . . . 63.04 108.38 167.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 31' ' ' SER . 40.9 mm -63.8 -45.76 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 113.654 -1.612 . . . . 74.45 112.05 -174.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.558 HG22 ' HG3' ' A' ' 65' ' ' GLN . 87.5 mt -57.15 -41.5 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.118 0.967 . . . . 73.13 110.669 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 12.6 t70 -68.74 -33.74 74.44 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 123.708 0.63 . . . . 74.3 110.859 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.524 HH22 ' HG2' ' A' ' 29' ' ' GLN . 19.9 mtp180 -76.88 -29.39 55.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.683 0.793 . . . . 73.53 111.056 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 46' ' ' ILE . 81.5 mt -64.18 -40.1 95.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.595 0.758 . . . . 64.32 109.352 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.434 ' HZ1' ' NE2' ' A' ' 65' ' ' GLN . 63.4 mttm -65.24 -33.68 76.56 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.876 0.87 . . . . 71.12 111.645 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 93.5 mtt180 -71.13 -11.62 61.04 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.536 0.734 . . . . 74.1 111.114 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 67.35 20.98 9.89 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.283 1.433 . . . . 70.53 110.493 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -23.9 40.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.131 0.972 . . . . 63.11 112.347 -174.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.523 ' HB ' HD22 ' A' ' 41' ' ' LEU . 32.0 mt -100.33 117.16 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.828 -0.434 . . . . 75.01 109.828 -174.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.47 -35.21 17.15 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.2 1.0 . . . . 73.35 111.211 -176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -151.33 144.04 24.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.384 -0.825 . . . . 75.31 109.054 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -142.47 148.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.464 0.706 . . . . 72.14 110.245 -170.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -132.63 120.92 43.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 107.93 -1.137 . . . . 73.01 107.93 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 62' ' ' ILE . 58.8 t -117.65 120.01 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.707 0.803 . . . . 71.23 110.624 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.9 tptp -106.72 105.11 14.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.603 0.761 . . . . 73.13 109.736 174.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -168.68 162.15 11.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.334 0.653 . . . . 71.24 110.444 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -103.12 -4.77 24.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.691 0.797 . . . . 64.15 111.004 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.4 96.72 4.73 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 109.053 -0.721 . . . . 73.41 109.053 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 82' ' ' ILE . 53.7 mtpt -60.61 -28.36 68.45 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.884 -1.053 . . . . 74.53 112.759 -175.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -65.74 -42.64 90.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.887 0.475 . . . . 65.52 110.481 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -63.9 -52.28 60.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.171 0.588 . . . . 74.31 109.709 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.45 -47.96 58.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 124.799 1.312 . . . . 74.14 110.886 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.0 -54.65 40.31 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.39 1.056 . . . . 73.4 111.073 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.6 -39.77 95.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.681 0.613 . . . . 71.22 112.447 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.537 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -58.8 -55.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 109.555 -0.535 . . . . 71.42 109.555 175.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 HG13 ' A' ' 75' ' ' ILE . 81.4 mt -60.69 -37.37 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 123.901 0.751 . . . . 63.34 110.943 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -57.0 -47.0 81.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.794 0.684 . . . . 72.22 110.234 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.558 ' HG3' HG22 ' A' ' 38' ' ' ILE . 12.9 mm100 -75.41 -17.72 60.11 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.786 0.679 . . . . 64.21 112.264 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.551 HG11 ' HB ' ' A' ' 73' ' ' VAL . 93.2 t -77.37 -34.85 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.308 0.643 . . . . 75.35 109.965 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 84.8 mt -70.29 -35.58 73.8 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.447 -0.946 . . . . 74.5 108.447 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 11.0 t70 -61.93 -39.76 93.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.769 1.227 . . . . 74.51 110.877 170.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.5 m -76.92 -28.14 55.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.99 0.367 . . . . 64.42 111.99 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.55 42.11 93.75 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 111.108 -0.797 . . . . 75.25 111.108 -167.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB2' HG12 ' A' ' 66' ' ' VAL . . . -105.78 173.57 6.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.632 1.173 . . . . 50.13 110.765 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 140.6 29.52 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.876 -0.787 . . . . 74.05 108.876 174.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 93' ' ' VAL . 4.3 p -138.05 133.76 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.511 0.672 . . . . 74.22 111.165 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.556 ' HB3' HG12 ' A' ' 50' ' ' ILE . 26.7 tp -117.46 124.14 48.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.943 1.297 . . . . 74.13 108.021 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 63' ' ' ILE . 48.3 mm -108.02 117.29 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.226 -0.657 . . . . 75.51 109.226 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 82.8 mt -108.02 134.29 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.233 -1.025 . . . . 75.13 108.233 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.8 t -155.6 142.1 18.67 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.762 -0.829 . . . . 71.33 108.762 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.5 m -59.19 -36.87 76.12 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.082 0.864 . . . . 72.34 111.216 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 82' ' ' ILE . 20.5 t70 -90.68 122.54 33.54 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.476 0.71 . . . . 72.13 110.744 -174.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.43 -24.67 61.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.307 1.043 . . . . 64.15 112.255 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -71.94 -35.5 69.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.782 -0.822 . . . . 75.35 108.782 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' O ' HG12 ' A' ' 86' ' ' ILE . 89.5 mt -67.83 -51.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 O-C-N 124.357 1.036 . . . . 72.53 109.523 173.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 mm -51.12 -48.11 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 74.3 112.212 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.35 -27.69 52.78 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.498 -0.773 . . . . 74.45 111.639 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 t -65.74 -40.38 92.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.187 0.517 . . . . 74.23 109.631 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.5 mm -70.5 -32.75 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.988 -1.005 . . . . 73.41 110.647 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -69.96 -44.25 69.88 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.151 0.426 . . . . 71.43 112.151 174.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.36 -32.14 68.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 117.812 0.278 . . . . 74.01 111.214 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.84 -43.45 54.5 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.075 0.55 . . . . 73.24 110.899 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.517 ' O ' HG12 ' A' ' 93' ' ' VAL . 52.3 m-85 -123.3 96.76 43.74 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.469 0.708 . . . . 73.34 109.15 -174.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -60.84 -34.08 91.87 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.501 2.134 . . . . 71.55 113.539 177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.86 -12.86 60.04 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.318 1.229 . . . . 75.55 114.318 -171.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.631 HG21 HG11 ' A' ' 73' ' ' VAL . 10.8 p -83.46 139.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.572 0.624 . . . . 72.14 110.75 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 4.2 mm-40 -88.83 124.36 34.1 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.867 -1.16 . . . . 75.13 107.867 164.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 75' ' ' ILE . 33.5 p -123.01 162.33 22.56 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.096 -0.705 . . . . 75.1 109.096 177.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -159.74 128.77 5.15 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.675 0.274 . . . . 75.12 110.432 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -61.91 116.86 5.22 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.283 0.989 . . . . 72.34 108.639 170.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.32 102.5 4.82 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.529 -1.285 . . . . 75.41 107.529 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.26 -3.42 50.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.193 -0.912 . . . . 64.33 110.814 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.82 153.87 49.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.548 -0.538 . . . . 74.41 109.548 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -68.3 -26.06 65.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.706 1.202 . . . . 74.15 112.289 -176.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 41.5 mt-10 -67.29 -49.78 62.88 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.063 0.852 . . . . 73.41 109.497 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.2 -33.83 71.44 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.592 -1.185 . . . . 73.22 112.151 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.626 HG23 HD12 ' A' ' 13' ' ' ILE . 80.6 t -69.68 -57.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 122.909 0.484 . . . . 75.45 111.229 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.1 pttt -61.93 -34.65 76.46 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.481 0.488 . . . . 73.21 110.991 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -63.57 -46.39 86.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.4 0.68 . . . . 75.55 110.817 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.2 76.99 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.136 0.574 . . . . 73.33 111.004 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 54.9 t -62.22 -52.84 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.155 0.982 . . . . 63.41 109.511 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 86.2 tt0 -56.7 -53.87 52.77 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.969 0.908 . . . . 73.13 111.79 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -35.65 75.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.834 0.854 . . . . 63.42 112.223 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.07 -36.63 75.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.106 0.563 . . . . 72.43 110.394 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 63.3 mt -77.67 -31.59 52.66 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.612 0.765 . . . . 75.43 112.325 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.427 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.4 mttm -68.42 -38.64 81.41 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.006 0.431 . . . . 74.32 110.495 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 115.616 -0.72 . . . . 74.51 111.528 177.436 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 tptt . . . . . 0 C--O 1.24 0.558 0 CA-C-O 120.87 0.367 . . . . 75.32 111.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.35 123.52 39.7 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 N-CA-C 107.327 -1.36 . . . . 74.14 107.327 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 29' ' ' GLN . 71.5 t -126.28 124.69 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.362 0.665 . . . . 64.12 109.653 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -99.03 111.32 23.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.172 -0.677 . . . . 74.12 109.172 170.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.485 HD12 HG13 ' A' ' 37' ' ' ILE . 61.9 tp -97.28 139.04 33.84 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 171.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -162.71 161.65 26.46 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.513 0.725 . . . . 75.23 109.848 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -99.54 -31.89 11.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.514 0.726 . . . . 73.31 109.577 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.42 113.74 17.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.3 -1.318 . . . . 75.11 109.326 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -60.86 -52.26 65.8 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.858 0.863 . . . . 74.12 113.01 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.14 -21.28 64.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.768 0.427 . . . . 62.34 111.552 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.558 HG21 ' HG2' ' A' ' 52' ' ' LYS . 24.3 mm -68.02 -51.47 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.555 0.742 . . . . 64.42 109.049 171.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.74 -38.72 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.981 0.913 . . . . 74.12 111.359 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.55 -40.25 92.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.672 0.789 . . . . 73.41 111.412 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 8.6 mm-40 -74.49 -32.5 62.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.659 0.784 . . . . 74.31 112.124 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.48 -35.43 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.002 0.521 . . . . 63.24 110.604 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 t -66.86 -35.59 80.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.598 0.759 . . . . 61.11 109.855 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.6 tppt? -67.96 -47.64 68.08 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.494 -0.775 . . . . 75.34 110.001 174.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.7 -43.16 89.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.613 0.765 . . . . 72.53 111.221 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' ' 28' ' ' ILE . . . -60.08 -46.14 90.56 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.108 -0.951 . . . . 64.12 110.587 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.93 -45.49 92.24 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.737 0.815 . . . . 74.01 111.415 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 mm-40 -60.68 -43.04 98.19 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 72.01 112.187 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -82.86 -20.27 35.87 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.13 0.419 . . . . 75.41 112.13 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.31 37.6 20.63 Favored Glycine 0 CA--C 1.534 1.243 0 O-C-N 123.185 0.303 . . . . 73.44 113.249 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.88 138.34 31.5 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.05 0.94 . . . . 73.0 110.692 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -86.01 86.78 7.35 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.076 -0.712 . . . . 75.32 109.076 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.469 HD13 ' HB2' ' A' ' 21' ' ' ALA . 40.1 mt -109.85 125.09 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.154 -0.684 . . . . 61.04 109.154 176.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.498 ' HB3' HG22 ' A' ' 5' ' ' VAL . 26.5 tp60 -87.44 109.42 19.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.437 -0.949 . . . . 75.01 108.437 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -95.75 125.42 40.31 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.365 -0.606 . . . . 65.12 109.365 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -142.05 154.4 44.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.932 0.893 . . . . 75.14 110.287 -171.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -110.54 -38.23 5.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.114 0.966 . . . . 74.11 110.321 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.23 102.92 8.82 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.937 0.399 . . . . 73.32 110.246 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -69.09 -25.97 64.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.682 0.793 . . . . 74.3 111.762 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.19 -39.72 93.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.59 0.756 . . . . 74.31 110.884 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 36.5 tt0 -59.86 -48.66 80.78 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.171 -0.922 . . . . 73.02 109.8 172.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 7' ' ' LEU . 46.0 mm -64.56 -38.32 82.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.44 -1.255 . . . . 75.54 112.145 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.01 -42.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.175 0.99 . . . . 75.45 110.002 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 27.7 t70 -70.07 -32.85 71.15 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.886 -1.052 . . . . 62.24 110.889 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.3 mtp180 -73.68 -31.5 63.47 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.636 0.374 . . . . 63.22 110.673 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -67.72 -32.6 73.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.064 0.546 . . . . 74.31 109.939 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.76 -36.61 84.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.89 0.476 . . . . 75.05 111.022 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 83.5 mtt180 -71.6 -12.56 61.42 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.415 0.686 . . . . 72.35 111.056 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 65.07 19.56 11.84 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.78 1.232 . . . . 72.35 109.224 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -68.18 -30.62 69.76 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.051 1.74 . . . . 74.43 111.548 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 49' ' ' ILE . 41.5 mt -101.43 120.53 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.433 0.693 . . . . 73.44 109.712 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -81.01 -42.21 21.5 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.949 0.499 . . . . 73.33 110.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ptm -148.84 139.01 22.3 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.456 -0.793 . . . . 73.01 109.418 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.481 ' HB ' HG23 ' A' ' 46' ' ' ILE . 10.4 tt -137.94 146.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.241 0.616 . . . . 71.33 110.805 -169.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 108' ' ' VAL . 69.0 mt -130.12 113.5 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.533 1.133 . . . . 74.43 108.401 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 62' ' ' ILE . 47.0 t -108.82 111.37 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.696 0.798 . . . . 72.54 109.895 -176.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.558 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.9 tptp -101.34 109.62 21.49 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.827 -0.805 . . . . 72.43 108.827 173.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' SER . 8.5 t -155.1 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.453 -0.943 . . . . 74.35 108.453 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -139.98 22.21 2.45 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.07 0.548 . . . . 65.31 110.078 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.45 114.42 22.85 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.138 -0.69 . . . . 74.54 109.138 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 82' ' ' ILE . 35.4 mtmm -58.72 -36.67 74.67 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.959 1.304 . . . . 73.43 113.497 -174.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.1 -30.63 60.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.734 0.414 . . . . 74.32 111.095 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -68.5 -44.8 73.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.997 0.519 . . . . 73.25 109.784 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.463 HG23 HD12 ' A' ' 75' ' ' ILE . 91.9 mt -56.42 -49.94 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 114.586 -1.188 . . . . 72.21 110.215 176.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -57.82 -43.04 85.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.527 -1.215 . . . . 63.44 111.741 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -60.87 -47.78 84.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.932 0.493 . . . . 73.21 111.798 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.543 HG21 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -61.23 -48.16 90.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 123.494 0.497 . . . . 62.22 109.996 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 56.0 mt -55.25 -47.78 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.743 0.652 . . . . 71.31 110.791 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.73 -46.99 74.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.133 0.973 . . . . 74.13 111.558 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -64.18 -41.03 97.29 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 123.969 0.793 . . . . 75.03 111.412 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.541 HG12 ' HB3' ' A' ' 71' ' ' ALA . 69.2 t -69.42 -34.74 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.662 0.785 . . . . 73.04 111.452 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 81.1 mt -64.25 -41.57 96.89 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.228 -0.656 . . . . 73.4 109.228 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.89 -40.87 91.97 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.422 -1.263 . . . . 75.23 111.304 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -87.76 -12.74 44.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.816 0.446 . . . . 72.21 112.044 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.5 77.93 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 123.584 0.553 . . . . 73.22 113.596 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.541 ' HB3' HG12 ' A' ' 66' ' ' VAL . . . -82.57 166.15 19.48 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.278 0.631 . . . . 71.01 110.396 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -86.34 138.03 32.13 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.039 -1.097 . . . . 72.24 108.039 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.779 HG12 HG22 ' A' ' 93' ' ' VAL . 4.3 p -140.38 135.14 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 121.218 0.532 . . . . 72.4 111.205 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 tp -116.98 117.9 30.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.875 1.27 . . . . 73.41 108.427 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.473 ' HB ' HG21 ' A' ' 95' ' ' THR . 40.0 mm -96.56 111.75 27.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.109 0.964 . . . . 75.44 109.356 174.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.05 127.62 52.96 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 75.13 108.669 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 53' ' ' THR . 22.6 m -136.31 143.55 44.23 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.309 -0.626 . . . . 63.15 109.309 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 m -79.36 11.68 2.82 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.55 0.74 . . . . 75.21 112.105 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.11 133.81 25.19 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.302 0.572 . . . . 71.44 110.968 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.01 -35.61 78.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.776 1.23 . . . . 75.24 112.188 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -70.28 -37.58 74.87 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 56' ' ' LYS . 62.4 mt -63.91 -48.9 84.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 115.482 -0.781 . . . . 60.44 109.65 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 31.6 mm -56.42 -42.46 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 123.335 0.397 . . . . 75.33 110.783 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -59.41 -46.01 89.9 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.543 0.737 . . . . 74.54 111.801 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 p -68.55 -36.59 79.01 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.289 -0.414 . . . . 74.01 111.28 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.5 mm -71.34 -29.85 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 122.452 0.301 . . . . 74.54 110.485 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 30.3 mtm180 -68.85 -45.09 71.98 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.809 0.444 . . . . 70.11 111.666 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.62 -36.88 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.524 0.194 . . . . 61.21 111.524 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.13 -44.99 59.43 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.172 0.51 . . . . 75.43 110.884 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' O ' HG11 ' A' ' 93' ' ' VAL . 35.9 m-85 -127.83 92.09 43.37 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.748 -0.834 . . . . 63.13 108.748 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.13 -20.07 15.02 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 121.951 1.767 . . . . 74.13 112.977 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.83 -15.48 41.79 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.259 0.836 . . . . 75.11 113.259 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.779 HG22 HG12 ' A' ' 73' ' ' VAL . 7.2 p -78.38 141.17 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 CA-C-N 118.422 0.556 . . . . 53.44 109.971 175.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.36 113.98 12.21 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.266 -0.642 . . . . 74.14 109.266 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 75' ' ' ILE . 54.3 p -119.68 136.88 54.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.242 0.617 . . . . 74.51 109.717 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.662 HH11 ' HB3' ' A' ' 107' ' ' ALA . 43.9 ttt180 -144.97 129.54 18.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.721 -0.844 . . . . 73.34 108.721 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 120.14 17.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.59 118.15 8.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.501 -1.296 . . . . 73.31 107.501 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.65 -59.19 1.78 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.403 0.62 . . . . 75.12 109.464 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.55 157.01 24.94 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.763 -1.108 . . . . 64.01 110.246 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.554 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.1 pttp -55.89 -34.95 66.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.327 1.451 . . . . 71.44 112.916 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.61 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -70.87 -39.61 72.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 123.677 0.61 . . . . 73.42 110.616 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.95 -34.15 76.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.531 0.732 . . . . 64.13 111.287 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.556 HG22 HD13 ' A' ' 13' ' ' ILE . 69.5 t -74.77 -51.5 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.949 -0.569 . . . . 72.53 110.976 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.61 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 64.9 pttt -64.57 -34.14 77.56 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.205 0.315 . . . . 74.43 111.313 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.28 -43.54 88.02 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.805 1.242 . . . . 73.1 111.549 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.662 ' HB3' HH11 ' A' ' 96' ' ' ARG . . . -66.97 -38.44 86.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.645 0.778 . . . . 74.12 111.501 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.517 ' HA ' HD11 ' A' ' 50' ' ' ILE . 79.2 t -62.35 -55.03 26.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 123.932 0.893 . . . . 75.02 110.582 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.96 -41.79 71.55 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.494 1.118 . . . . 73.51 111.346 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.76 -47.78 74.05 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.974 0.91 . . . . 72.24 111.461 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -58.41 -37.82 76.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.636 1.174 . . . . 73.13 111.09 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.2 mt -77.63 -44.05 29.49 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.935 -1.03 . . . . 73.34 112.451 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.5 -32.71 70.3 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 111.965 0.358 . . . . 74.21 111.965 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.482 1.138 0 C-N-CA 123.027 0.531 . . . . 75.14 110.937 173.619 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.59 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 53.4 tptt . . . . . 0 C--O 1.24 0.567 0 N-CA-C 107.63 -1.248 . . . . 75.24 107.63 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 t -88.36 119.54 35.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.888 -1.153 . . . . 75.0 107.888 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 29' ' ' GLN . 89.2 t -122.24 111.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 108.797 -0.816 . . . . 74.42 108.797 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 30' ' ' THR . 79.7 t80 -89.41 109.77 20.65 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 173.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.567 ' HB3' HG22 ' A' ' 51' ' ' VAL . 61.0 tp -94.4 140.87 29.25 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.83 -1.174 . . . . 73.34 107.83 170.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.5 t -151.46 164.57 36.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.37 -0.604 . . . . 73.05 109.37 172.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 2.96 12.99 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.807 0.843 . . . . 70.42 109.269 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -126.7 121.72 32.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.734 1.214 . . . . 63.45 109.114 -167.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -65.06 -55.77 16.9 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.1 1.148 . . . . 75.44 114.1 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.76 -38.72 56.64 Favored 'General case' 0 N--CA 1.499 2.017 0 C-N-CA 123.698 0.799 . . . . 74.45 111.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.659 HD13 HG23 ' A' ' 104' ' ' VAL . 40.6 mm -55.28 -55.51 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.975 -1.466 . . . . 75.41 111.214 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.28 -37.17 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.614 1.166 . . . . 71.42 111.179 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -65.42 -37.69 87.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.161 0.984 . . . . 74.51 110.772 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 12.7 mm-40 -80.0 -37.57 33.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.091 -0.959 . . . . 51.4 112.19 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.37 -35.4 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.832 0.453 . . . . 73.22 110.239 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -70.08 -32.42 70.49 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.571 0.748 . . . . 74.21 110.5 175.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -60.97 -54.72 41.49 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.526 0.73 . . . . 74.22 109.915 172.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -56.12 -44.95 79.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.525 1.13 . . . . 73.4 111.301 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB3' HD11 ' A' ' 28' ' ' ILE . . . -66.06 -37.92 87.05 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.132 -0.94 . . . . 75.14 111.731 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.7 -49.48 46.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.738 0.415 . . . . 74.02 110.809 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.56 -50.13 72.79 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.76 0.824 . . . . 73.11 111.662 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -83.35 -14.72 52.25 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.576 -0.738 . . . . 73.42 111.839 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.93 18.57 72.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.254 0.346 . . . . 42.04 113.526 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -67.27 121.5 15.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.715 0.806 . . . . 75.32 110.25 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.47 105.9 10.05 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.983 -0.747 . . . . 74.12 108.983 172.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 21' ' ' ALA . 53.5 mt -133.69 126.32 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.121 0.969 . . . . 74.5 109.113 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 5' ' ' VAL . 21.5 tp60 -83.1 108.83 16.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.087 -0.709 . . . . 75.52 109.087 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 21.4 p -98.16 126.63 43.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.394 -0.595 . . . . 71.3 109.394 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 m -150.27 165.25 33.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.921 0.888 . . . . 71.14 110.354 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.79 -22.12 8.71 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.9 0.88 . . . . 74.41 110.552 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.2 m-20 -68.63 86.07 0.31 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.367 0.667 . . . . 74.11 109.736 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HZ3' ' HB3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -61.81 -32.88 73.21 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.92 0.488 . . . . 72.41 109.723 -178.463 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -62.24 -42.32 99.21 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.435 1.094 . . . . 74.21 111.495 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.8 tt0 -65.08 -45.6 84.59 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.872 0.732 . . . . 64.5 110.063 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 33' ' ' ASP . 37.2 mm -68.96 -37.13 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.62 -0.263 . . . . 73.42 111.363 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 42' ' ' LYS . 96.4 mt -60.14 -40.12 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.11 0.964 . . . . 74.35 109.492 171.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 13.9 t70 -63.91 -37.61 88.02 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.67 1.188 . . . . 75.2 111.233 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 25.6 mtp180 -77.07 -28.96 54.85 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.726 0.81 . . . . 74.4 110.853 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD21 ' HB ' ' A' ' 46' ' ' ILE . 79.6 mt -68.95 -33.14 73.22 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.901 0.88 . . . . 70.0 110.258 171.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 38' ' ' ILE . 99.0 mttt -66.2 -32.49 73.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.412 0.685 . . . . 75.02 110.614 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 77.4 mtt180 -74.54 -9.67 58.8 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.498 0.719 . . . . 72.51 111.125 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 65.96 17.72 10.88 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.028 1.331 . . . . 74.35 110.8 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.26 -26.66 47.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.53 1.132 . . . . 74.04 111.579 -168.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 41' ' ' LEU . 53.8 mt -91.56 124.9 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.134 -0.939 . . . . 74.25 109.463 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.59 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 13.9 t70 -87.14 -38.82 16.08 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.161 0.984 . . . . 62.45 110.22 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 ptp -151.03 146.2 26.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.971 -1.013 . . . . 73.01 109.436 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.0 tt -140.15 140.93 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.622 0.769 . . . . 71.14 109.23 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.414 HG23 HG21 ' A' ' 108' ' ' VAL . 46.8 mt -129.27 111.88 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.361 -0.977 . . . . 74.03 108.361 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 7' ' ' LEU . 46.1 t -111.45 117.19 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.441 0.697 . . . . 72.22 111.051 -174.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.3 tptp -101.84 109.56 21.34 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.9 0.88 . . . . 74.4 108.941 169.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -166.56 157.04 12.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.546 0.738 . . . . 73.44 109.343 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -93.59 -6.96 45.38 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.793 0.837 . . . . 72.43 109.928 173.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.04 94.09 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.881 -1.155 . . . . 74.25 107.881 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -57.05 -33.13 66.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.921 1.289 . . . . 74.02 112.965 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -75.08 -32.02 61.37 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.191 0.596 . . . . 72.22 110.687 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 t -63.01 -54.12 43.33 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.53 -0.915 . . . . 71.54 108.53 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.21 -48.79 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.926 1.391 . . . . 74.01 110.612 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.6 t -54.15 -55.84 23.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 73.45 111.454 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 42.7 mm-40 -62.52 -43.32 99.09 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.755 0.66 . . . . 65.1 111.802 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.505 HG21 HG23 ' A' ' 51' ' ' VAL . 1.7 mp -53.6 -56.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 O-C-N 123.958 0.787 . . . . 73.34 110.029 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.533 HD12 HG13 ' A' ' 75' ' ' ILE . 75.5 mt -60.7 -40.83 86.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 124.045 0.84 . . . . 74.13 110.395 -174.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -54.04 -47.88 71.12 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.808 0.843 . . . . 75.34 110.952 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm100 -62.39 -42.17 99.22 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.646 0.591 . . . . 73.53 110.559 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG12 ' HB1' ' A' ' 71' ' ' ALA . 81.3 t -62.97 -38.28 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.751 1.22 . . . . 74.41 111.571 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 77.6 mt -67.1 -29.52 69.29 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.632 0.773 . . . . 62.21 110.945 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.61 -41.5 23.85 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.466 -0.788 . . . . 75.21 110.584 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.2 m -78.88 -12.66 60.04 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.031 0.752 . . . . 65.23 113.031 -169.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.77 52.51 28.87 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.644 -0.583 . . . . 61.43 111.644 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB1' HG12 ' A' ' 66' ' ' VAL . . . -124.75 171.45 10.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.347 1.059 . . . . 73.23 110.182 -175.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.5 mppt? -96.16 149.22 21.88 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.555 -0.906 . . . . 75.22 108.555 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.572 HG12 HG22 ' A' ' 93' ' ' VAL . 5.8 p -142.3 131.95 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.13 0.572 . . . . 74.35 110.357 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 45.9 tp -120.11 117.68 28.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.712 1.205 . . . . 73.35 108.48 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.533 HG13 HD12 ' A' ' 63' ' ' ILE . 46.5 mm -106.22 123.22 60.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 123.204 0.602 . . . . 72.3 109.673 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 mt -117.63 132.96 56.42 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.999 1.319 . . . . 72.41 107.86 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.0 t -156.87 151.53 25.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.704 . . . . 74.14 109.12 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.3 p -95.64 9.7 39.35 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.249 1.02 . . . . 72.55 111.515 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB3' HD13 ' A' ' 82' ' ' ILE . 16.6 t70 -118.81 128.53 54.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.842 0.457 . . . . 75.44 110.607 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.82 -51.24 66.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.88 1.272 . . . . 72.43 112.234 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.57 -37.36 85.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.639 0.775 . . . . 74.2 110.179 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.503 ' O ' HG12 ' A' ' 86' ' ' ILE . 71.1 mt -68.23 -55.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 115.192 -0.913 . . . . 71.25 110.315 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 29.1 mm -51.3 -48.97 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 123.961 0.788 . . . . 64.13 110.475 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -57.8 -48.72 78.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.239 0.962 . . . . 75.15 111.585 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.4 m -56.02 -45.52 79.09 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.923 0.764 . . . . 75.42 110.937 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 82' ' ' ILE . 23.4 mm -66.64 -34.28 69.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-N 115.496 -0.775 . . . . 74.53 111.191 -175.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 60.0 mtm180 -67.03 -55.83 12.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 120.868 0.366 . . . . 70.34 110.771 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 60.5 pttt -72.41 -24.34 61.22 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.11 -0.496 . . . . 73.35 112.182 -170.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -80.49 -42.08 23.16 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.077 0.551 . . . . 71.5 111.128 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.488 ' O ' HG13 ' A' ' 93' ' ' VAL . 68.2 m-85 -120.6 108.23 37.65 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 123.063 0.545 . . . . 74.05 110.548 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.42 -29.01 11.61 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.573 2.182 . . . . 73.51 113.318 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -78.47 -15.24 58.84 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.179 0.807 . . . . 74.25 113.179 -175.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.572 HG22 HG12 ' A' ' 73' ' ' VAL . 11.2 p -81.39 137.02 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.648 0.261 . . . . 74.41 110.726 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 66.0 mm-40 -85.92 129.44 34.83 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 107.604 -1.258 . . . . 75.42 107.604 162.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.425 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.0 p -122.83 154.08 38.73 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.949 -0.76 . . . . 63.22 108.949 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.477 ' HD3' ' HB3' ' A' ' 107' ' ' ALA . 69.6 ttt180 -151.37 122.88 7.9 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.319 -1.363 . . . . 75.44 107.319 170.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -66.15 125.15 24.62 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.584 -0.895 . . . . 73.11 108.584 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.15 104.12 4.58 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.497 -0.927 . . . . 53.31 108.497 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -88.83 -20.82 24.17 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.815 -1.084 . . . . 70.35 109.859 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -106.31 136.56 45.82 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.578 0.751 . . . . 72.12 109.628 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.489 ' HB3' HD12 ' A' ' 13' ' ' ILE . 43.9 pttt -61.59 -20.54 63.43 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.973 1.309 . . . . 71.33 111.906 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 22.5 mt-10 -65.4 -47.08 77.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.457 1.103 . . . . 63.23 109.411 172.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -70.3 -30.39 67.37 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.093 -1.412 . . . . 74.1 112.34 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.659 HG23 HD13 ' A' ' 13' ' ' ILE . 86.3 t -66.72 -54.42 25.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 122.893 0.477 . . . . 72.31 110.313 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.2 pttt -65.3 -32.48 74.16 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.113 0.258 . . . . 75.53 111.507 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.9 -42.69 99.87 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.763 0.825 . . . . 71.45 110.662 173.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 96' ' ' ARG . . . -63.61 -38.9 92.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.539 0.736 . . . . 65.04 111.251 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.414 HG21 HG23 ' A' ' 50' ' ' ILE . 85.5 t -61.52 -51.31 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.3 1.04 . . . . 73.13 110.587 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.473 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 43.2 tt0 -61.06 -47.07 88.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.563 0.745 . . . . 75.5 111.256 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -67.71 -27.38 66.76 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.72 0.808 . . . . 71.02 111.552 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.408 ' HZ ' ' HB3' ' A' ' 72' ' ' LYS . 47.5 t80 -69.86 -38.51 76.45 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.221 1.008 . . . . 75.14 109.37 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 99.1 mt -79.35 -29.71 42.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.878 -1.056 . . . . 75.22 113.042 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.473 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 98.9 mttt -66.62 -36.57 82.9 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.984 0.513 . . . . 75.02 110.794 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 CA--C 1.543 0.702 0 CA-C-N 115.209 -0.905 . . . . 75.42 110.17 175.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.425 ' HZ3' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 120.629 0.252 . . . . 70.31 110.848 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -100.2 125.71 53.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 115.327 -0.852 . . . . 71.23 109.461 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.4 t -127.24 117.75 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.587 -0.894 . . . . 71.15 108.587 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.487 ' HB3' HG22 ' A' ' 30' ' ' THR . 63.9 t80 -89.75 147.01 24.09 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.344 0.592 . . . . 74.52 110.367 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.59 133.09 35.97 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.954 1.301 . . . . 75.33 108.053 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.6 t -144.87 151.38 38.64 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.705 -0.85 . . . . 72.31 108.705 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.62 -11.73 53.19 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 123.741 0.651 . . . . 71.11 109.639 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.45 139.17 51.25 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.863 0.865 . . . . 72.01 111.091 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -65.99 -43.85 86.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.022 1.329 . . . . 74.24 112.99 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.75 -34.51 78.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.618 0.367 . . . . 73.42 110.638 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.51 -45.04 93.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.399 -0.819 . . . . 74.03 110.034 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.519 HG21 ' HB ' ' A' ' 30' ' ' THR . 76.9 mt -52.98 -45.31 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.578 1.151 . . . . 75.41 110.609 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.14 -29.48 62.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.662 0.785 . . . . 74.22 112.381 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 48.9 mm-40 -70.55 -42.03 71.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.036 0.534 . . . . 73.33 111.428 176.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.406 HG11 HG11 ' A' ' 108' ' ' VAL . 89.2 t -74.97 -33.66 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.61 0.764 . . . . 71.32 110.79 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 t -64.18 -37.67 88.29 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.433 0.693 . . . . 73.03 109.884 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.0 tppp? -64.83 -49.06 72.11 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.826 -0.624 . . . . 75.53 109.873 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 1.3 tpmt? -55.57 -37.93 68.7 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.673 0.789 . . . . 73.01 111.116 178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.56 85.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.976 -1.011 . . . . 74.0 111.083 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.54 -46.23 80.34 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.446 0.466 . . . . 65.43 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 8.0 mm-40 -56.28 -47.32 78.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.748 0.819 . . . . 74.52 112.342 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 48.3 mm-40 -93.5 -14.19 26.94 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.685 0.624 . . . . 75.31 112.685 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.43 32.31 31.35 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 122.058 -0.115 . . . . 71.2 113.173 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -88.76 133.78 34.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.233 1.013 . . . . 72.41 110.126 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -84.5 91.31 7.82 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.069 0.938 . . . . 71.22 108.866 169.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.75 103.78 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 109.078 -0.712 . . . . 71.2 109.078 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.5 tp-100 -76.31 112.8 13.19 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.519 ' HB ' HG21 ' A' ' 14' ' ' ILE . 53.8 p -97.87 150.17 21.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.978 0.511 . . . . 64.34 110.299 -175.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -154.51 162.43 41.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.441 0.696 . . . . 71.32 110.433 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -105.58 -30.06 9.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.13 0.972 . . . . 64.01 110.19 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.08 104.18 15.44 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.331 0.586 . . . . 65.41 110.139 -173.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -63.73 -27.55 69.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.687 1.195 . . . . 74.32 112.47 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.36 -41.22 80.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.28 0.632 . . . . 72.24 111.123 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -42.91 99.36 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.374 1.07 . . . . 72.2 109.919 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.99 -37.43 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 114.726 -1.124 . . . . 71.21 111.117 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 65' ' ' GLN . 66.6 mt -56.3 -44.57 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.328 0.651 . . . . 75.11 109.909 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 38.3 t70 -66.86 -33.27 75.23 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.708 -0.678 . . . . 64.04 111.466 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -71.28 -34.32 70.56 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 75.25 111.181 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.01 -32.56 73.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.331 0.652 . . . . 73.12 110.45 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -65.96 -30.64 71.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.86 0.864 . . . . 74.31 110.939 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.0 mtt180 -80.92 -13.9 58.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.281 0.632 . . . . 71.21 110.77 173.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.529 ' HG3' ' HB2' ' A' ' 69' ' ' SER . 55.0 ttt-85 62.33 21.89 12.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.519 1.527 . . . . 75.33 111.032 -173.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.73 -24.5 63.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 74.02 111.422 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.45 HG22 ' HB ' ' A' ' 49' ' ' ILE . 32.0 mt -97.25 125.36 50.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.411 -0.959 . . . . 75.31 108.411 -175.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -78.29 -46.53 19.98 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.792 0.806 . . . . 74.23 109.987 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.426 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 11.1 ptm -145.84 129.87 17.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.253 -1.339 . . . . 72.24 109.255 -174.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.45 ' HB ' HG22 ' A' ' 46' ' ' ILE . 4.5 tt -131.66 147.27 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.054 0.942 . . . . 71.41 109.655 -169.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 108' ' ' VAL . 51.4 mt -131.11 126.13 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.99 -1.115 . . . . 75.31 107.99 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.502 HG21 HG22 ' A' ' 62' ' ' ILE . 66.2 t -122.14 111.59 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.237 0.615 . . . . 74.22 109.716 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -101.37 110.36 22.35 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.009 -0.738 . . . . 75.15 109.009 173.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -171.41 160.8 6.18 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.601 0.761 . . . . 71.44 109.615 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.26 -4.61 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.843 0.857 . . . . 74.0 109.782 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.65 93.35 0.7 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.924 -0.769 . . . . 73.5 108.924 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HE2' HG12 ' A' ' 82' ' ' ILE . 95.2 mttt -54.54 -32.16 57.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.618 1.167 . . . . 74.43 112.654 -174.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.69 -41.25 79.45 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.542 0.737 . . . . 74.35 110.758 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -63.55 -52.43 61.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.12 0.568 . . . . 64.33 109.507 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 75' ' ' ILE . 91.5 mt -51.68 -57.18 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 114.464 -1.244 . . . . 74.54 110.642 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.5 t -59.64 -48.91 79.79 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 124.091 0.87 . . . . 73.31 111.557 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.99 -47.95 84.08 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.314 0.646 . . . . 73.12 111.578 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.502 HG22 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.5 -47.01 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.521 0.513 . . . . 73.01 110.076 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.5 HD12 HG13 ' A' ' 75' ' ' ILE . 99.3 mt -57.86 -44.9 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 123.607 0.567 . . . . 73.4 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 60' ' ' SER . 94.0 mttt -55.03 -42.6 72.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.244 0.618 . . . . 74.12 110.479 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 38' ' ' ILE . 16.2 mm100 -72.23 -32.55 66.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.841 -1.072 . . . . 70.22 111.918 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.514 HG13 ' HB ' ' A' ' 73' ' ' VAL . 59.1 t -79.17 -26.77 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 122.672 0.389 . . . . 73.24 110.477 179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.4 -41.83 72.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.012 -0.736 . . . . 74.54 109.012 173.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.8 -41.31 92.09 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.956 -1.02 . . . . 72.5 111.273 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.529 ' HB2' ' HG3' ' A' ' 44' ' ' ARG . 77.9 p -79.88 -22.91 42.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.281 0.232 . . . . 75.04 110.857 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.41 33.02 80.72 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.486 -0.324 . . . . 64.13 112.316 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -91.81 -174.83 3.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.729 0.812 . . . . 74.42 110.902 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 137.46 37.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.173 -0.677 . . . . 75.34 109.173 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.698 HG11 HG21 ' A' ' 93' ' ' VAL . 7.5 p -141.15 139.51 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.041 0.536 . . . . 73.34 111.547 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.92 116.91 27.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.344 1.058 . . . . 75.34 108.938 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.5 HG13 HD12 ' A' ' 63' ' ' ILE . 41.1 mm -95.77 120.68 45.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.988 0.915 . . . . 64.42 109.576 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 104' ' ' VAL . 88.3 mt -115.37 120.56 40.01 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.324 1.05 . . . . 74.44 108.567 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m -142.2 140.63 32.41 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.128 -1.064 . . . . 65.05 108.128 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 m -69.98 -32.93 71.4 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.32 0.648 . . . . 71.22 110.622 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.54 121.97 29.0 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.119 -0.946 . . . . 63.15 111.143 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.45 -30.75 71.78 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.511 1.124 . . . . 74.14 113.148 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -71.56 -32.17 67.79 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.669 -0.493 . . . . 63.52 109.669 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.417 HG12 ' HE2' ' A' ' 56' ' ' LYS . 79.9 mt -67.53 -53.84 28.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 C-N-CA 123.373 0.669 . . . . 63.13 109.218 173.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 38.2 mm -52.82 -46.15 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.928 0.767 . . . . 75.2 110.486 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.14 -51.32 70.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.647 0.779 . . . . 65.15 111.348 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.3 m -54.95 -43.49 73.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.905 0.753 . . . . 75.23 111.633 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 93' ' ' VAL . 45.1 mm -71.8 -32.07 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.266 -0.879 . . . . 74.23 110.779 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 50.9 mtm180 -72.74 -46.8 51.61 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.361 0.264 . . . . 75.41 111.175 176.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.78 -31.25 61.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.571 0.349 . . . . 72.41 111.768 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -85.53 -44.78 12.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.827 0.451 . . . . 64.22 110.669 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.481 ' O ' HG11 ' A' ' 93' ' ' VAL . 21.8 m-85 -114.75 96.3 43.76 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.538 -0.912 . . . . 73.21 108.538 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.73 -37.91 19.62 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.111 1.874 . . . . 70.22 112.741 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -76.09 -2.33 30.33 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.214 1.19 . . . . 75.25 114.214 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.698 HG21 HG11 ' A' ' 73' ' ' VAL . 13.8 p -89.2 147.79 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.054 0.388 . . . . 73.45 110.712 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 2.2 mp0 -85.51 121.11 27.74 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.126 -1.064 . . . . 74.25 108.126 166.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.422 HG21 ' HB ' ' A' ' 75' ' ' ILE . 70.8 p -119.59 156.46 30.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.588 -0.523 . . . . 64.4 109.588 171.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.488 ' NH1' ' HB3' ' A' ' 103' ' ' GLU . 53.0 ttt-85 -156.17 127.63 7.18 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.049 -1.463 . . . . 72.32 107.049 170.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -63.9 118.14 7.98 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.954 -1.128 . . . . 73.44 107.954 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.15 105.03 6.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.979 -1.489 . . . . 74.04 106.979 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.86 -60.34 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.996 0.81 . . . . 64.32 109.006 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.48 158.85 15.81 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.845 -0.616 . . . . 74.45 110.28 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.561 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.8 pttm -53.24 -31.11 41.76 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.158 1.783 . . . . 74.32 112.726 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.62 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.1 pt-20 -65.48 -44.99 85.39 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.413 0.445 . . . . 73.42 109.964 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.488 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 33.5 mt-10 -64.19 -28.72 69.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.459 -0.791 . . . . 74.55 111.672 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.497 ' HA ' HD13 ' A' ' 76' ' ' LEU . 60.3 t -68.26 -58.62 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.745 -0.661 . . . . 73.54 109.932 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.62 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 62.0 pttt -66.98 -33.88 76.54 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.777 0.673 . . . . 64.32 111.689 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 69.6 m-20 -56.89 -53.15 61.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.894 0.478 . . . . 70.01 110.395 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.0 71.97 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.916 0.887 . . . . 74.45 111.597 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 46.6 t -61.67 -51.35 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.909 0.883 . . . . 74.43 110.161 174.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.537 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 27.9 tt0 -60.4 -43.04 97.08 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.825 0.703 . . . . 71.21 109.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 19.9 mm-40 -59.29 -47.7 84.4 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.695 0.798 . . . . 61.24 110.635 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 48' ' ' MET . 70.5 t80 -59.09 -43.07 91.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.645 1.178 . . . . 74.11 111.16 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 21.7 mt -76.95 -38.11 53.96 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.63 -0.714 . . . . 64.13 112.183 -175.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -68.12 -35.57 78.33 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.742 0.417 . . . . 74.33 110.837 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 115.775 -0.648 . . . . 74.45 111.367 176.02 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 2.0 tpmt? . . . . . 0 C--O 1.242 0.684 0 N-CA-C 107.118 -1.438 . . . . 73.54 107.118 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -85.6 118.74 32.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.82 -1.178 . . . . 74.45 107.82 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 37' ' ' ILE . 87.9 t -121.64 119.74 59.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.28 -0.637 . . . . 72.31 109.28 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -94.7 130.92 41.02 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 171.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -126.45 127.09 44.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.572 -1.27 . . . . 72.44 107.572 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -152.62 152.58 31.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.048 0.452 . . . . 64.2 110.062 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.44 -24.83 24.04 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.089 -0.96 . . . . 74.42 109.708 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.11 135.1 34.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.44 1.096 . . . . 73.32 110.184 -171.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -67.34 -58.53 4.63 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.101 1.148 . . . . 74.3 114.101 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.01 -35.55 78.89 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 118.142 0.428 . . . . 74.24 111.312 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 104' ' ' VAL . 38.9 mm -51.61 -53.44 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 O-C-N 124.599 1.187 . . . . 74.05 111.321 173.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.8 -39.03 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.145 0.578 . . . . 74.35 110.568 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.69 -39.21 93.28 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.563 0.745 . . . . 65.54 112.08 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 35.3 mm-40 -72.67 -42.6 64.11 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.668 0.787 . . . . 72.44 111.731 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.533 HG12 HG13 ' A' ' 108' ' ' VAL . 70.1 t -68.55 -37.59 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.929 -0.578 . . . . 74.41 110.779 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -60.71 -45.01 95.84 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.742 0.817 . . . . 75.12 110.532 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 4.2 tppp? -63.88 -54.46 34.53 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.069 0.856 . . . . 74.44 110.255 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -48.81 72.95 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.299 0.999 . . . . 75.23 111.223 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.97 75.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.144 -0.935 . . . . 73.34 111.267 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.34 -41.51 93.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.732 0.813 . . . . 65.41 111.428 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 32.8 mm-40 -63.93 -38.44 91.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.296 0.638 . . . . 73.42 111.34 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.31 -10.3 58.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.106 0.563 . . . . 72.24 112.303 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.26 69.58 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 114.613 0.605 . . . . 75.25 114.613 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -75.38 123.8 26.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.889 0.476 . . . . 75.03 110.051 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.04 98.13 11.59 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.686 -0.857 . . . . 75.22 108.686 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.437 HD12 HD12 ' A' ' 112' ' ' LEU . 28.6 mt -105.11 128.06 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.411 0.684 . . . . 74.12 109.354 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HB3' HG21 ' A' ' 5' ' ' VAL . 30.0 tp60 -75.7 108.34 8.48 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.456 -0.942 . . . . 72.11 108.456 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.39 139.05 34.72 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.164 0.586 . . . . 73.14 109.647 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -154.03 161.59 41.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.532 0.733 . . . . 75.24 111.0 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -114.28 -35.98 4.82 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.681 1.193 . . . . 74.03 109.619 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.32 99.31 7.05 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 122.199 0.999 . . . . 71.35 109.488 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.64 -18.97 65.72 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.783 -1.098 . . . . 73.05 112.702 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -56.44 -38.52 71.73 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.464 0.706 . . . . 75.04 111.347 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.8 -46.83 70.82 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.245 0.618 . . . . 73.45 110.531 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD13 HG11 ' A' ' 5' ' ' VAL . 25.3 mm -71.73 -46.16 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.807 -1.088 . . . . 75.4 112.188 -169.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' A' ' 65' ' ' GLN . 68.2 mt -55.28 -39.2 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.42 1.088 . . . . 74.12 110.377 173.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.25 -41.7 89.58 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.167 -0.924 . . . . 74.35 110.958 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -76.8 -23.68 52.84 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.733 0.413 . . . . 75.22 111.374 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HB ' ' A' ' 46' ' ' ILE . 96.7 mt -61.87 -47.85 83.16 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.29 -0.633 . . . . 65.14 109.29 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 8.5 mtpm? -63.15 -28.26 69.93 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.952 0.901 . . . . 73.21 112.182 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -83.25 -9.05 59.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.189 0.596 . . . . 71.44 111.962 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 63.09 21.18 12.73 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.906 1.283 . . . . 74.44 111.28 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -21.83 43.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.169 0.988 . . . . 63.13 111.076 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' HA ' ' HG2' ' A' ' 3' ' ' LYS . 59.0 mt -93.86 130.56 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.331 0.652 . . . . 64.22 109.451 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 14.6 t70 -90.55 -44.59 9.47 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.457 0.703 . . . . 71.12 109.817 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -148.35 136.29 20.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.507 -0.77 . . . . 73.14 109.497 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 4.7 tt -134.02 133.73 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.742 0.817 . . . . 75.25 109.177 -173.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.527 HG22 HG23 ' A' ' 108' ' ' VAL . 64.5 mt -119.57 116.12 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.612 -1.255 . . . . 74.0 107.612 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 HG21 ' A' ' 62' ' ' ILE . 26.0 t -108.37 133.79 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.663 0.785 . . . . 74.1 109.716 -175.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' HG2' HG22 ' A' ' 13' ' ' ILE . 25.7 tptp -123.08 106.76 11.08 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.462 -0.94 . . . . 74.14 108.462 170.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 t -157.25 144.82 18.84 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.076 -1.083 . . . . 75.42 108.076 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.06 4.62 52.69 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.492 0.717 . . . . 65.23 109.852 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' HB3' ' HG ' ' A' ' 58' ' ' SER . 16.4 t70 -92.46 101.19 13.64 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.272 -0.64 . . . . 73.44 109.272 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HB3' HG22 ' A' ' 82' ' ' ILE . 14.6 ptmm? -60.17 -25.98 65.96 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.306 1.043 . . . . 74.3 113.519 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.1 -39.95 60.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.713 0.405 . . . . 73.15 110.927 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.401 ' HG ' ' HB3' ' A' ' 55' ' ' ASP . 89.2 p -72.52 -37.6 68.31 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.955 -0.387 . . . . 74.3 109.955 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.471 HG21 HD12 ' A' ' 75' ' ' ILE . 80.6 mt -54.42 -50.98 53.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 O-C-N 123.812 0.695 . . . . 75.35 109.714 172.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.3 t -53.74 -45.9 70.69 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.455 1.097 . . . . 72.21 111.109 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -58.51 -51.38 70.1 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.614 0.766 . . . . 70.22 111.98 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.597 HG21 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -55.4 -50.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 123.558 0.536 . . . . 74.1 110.304 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.49 HD13 HG13 ' A' ' 75' ' ' ILE . 67.6 mt -60.46 -40.02 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.5 0.5 . . . . 73.0 110.956 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.5 -39.83 89.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.187 0.595 . . . . 74.45 110.543 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' HG21 ' A' ' 38' ' ' ILE . 8.6 mm100 -80.85 -17.04 52.03 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.805 -0.634 . . . . 75.23 111.763 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 94.7 t -83.91 -25.41 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.492 0.717 . . . . 75.42 110.047 170.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -74.68 -31.59 61.96 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.705 -0.85 . . . . 75.5 108.705 171.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.89 -42.8 66.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.434 -0.803 . . . . 74.32 111.43 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' A' ' 66' ' ' VAL . 77.6 p -77.24 -49.57 14.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.136 0.493 . . . . 55.13 111.749 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.48 29.12 12.67 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 114.84 -1.073 . . . . 51.21 111.467 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.75 169.67 15.91 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.369 0.668 . . . . 72.34 111.184 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -84.66 143.1 29.44 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 108.212 -1.033 . . . . 75.32 108.212 166.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.69 HG11 HG22 ' A' ' 93' ' ' VAL . 7.6 p -144.24 140.45 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 122.872 0.469 . . . . 74.13 111.656 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.38 117.56 25.48 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.368 1.067 . . . . 71.13 108.557 171.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.49 HG13 HD13 ' A' ' 63' ' ' ILE . 27.5 mm -94.2 124.3 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 123.446 0.698 . . . . 74.3 109.975 175.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -122.7 123.47 41.18 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.188 1.395 . . . . 75.1 107.49 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 t -138.77 150.21 45.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.959 -0.756 . . . . 73.55 108.959 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.9 m -83.34 11.02 7.33 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.369 0.668 . . . . 73.42 112.174 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -139.89 126.79 20.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.768 0.827 . . . . 62.33 109.336 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.53 ' HB3' HH11 ' A' ' 97' ' ' ARG . 12.4 pt-20 -74.86 -24.2 58.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.976 0.91 . . . . 53.23 113.156 -175.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.14 -30.75 49.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 109.181 -0.674 . . . . 75.51 109.181 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.513 HG22 ' HB3' ' A' ' 56' ' ' LYS . 58.2 mt -68.33 -48.88 71.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 CA-C-N 114.83 -1.077 . . . . 71.13 109.402 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 28.2 mm -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.482 0.489 . . . . 73.03 110.438 175.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.43 -44.81 89.29 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 124.004 0.922 . . . . 73.0 111.042 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.525 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 38.4 t -62.83 -43.13 99.62 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 114.926 -1.034 . . . . 72.15 111.23 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.1 mm -65.58 -31.37 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 71.0 110.774 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 81.1 mtm180 -73.99 -44.26 55.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.104 0.562 . . . . 74.33 111.918 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 65.4 pttt -68.29 -36.83 79.96 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.866 0.104 . . . . 74.11 111.075 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.61 -46.24 39.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.474 0.71 . . . . 74.4 110.625 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -128.77 93.6 36.96 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.011 0.925 . . . . 73.02 109.257 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.73 -19.35 14.44 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.371 2.047 . . . . 74.2 113.218 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -72.0 -23.81 61.47 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.508 0.929 . . . . 73.4 113.508 -176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.69 HG22 HG11 ' A' ' 73' ' ' VAL . 4.5 p -83.07 137.24 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.542 0.337 . . . . 72.43 111.828 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.82 113.3 4.79 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 168.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 83' ' ' ILE . 24.9 p -116.51 144.47 44.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.39 0.676 . . . . 74.45 109.722 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -158.33 131.0 7.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.957 -1.127 . . . . 73.45 107.957 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.53 HH11 ' HB3' ' A' ' 80' ' ' GLU . 41.6 ttp180 -72.75 133.02 44.35 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.571 -0.9 . . . . 75.14 108.571 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 106.01 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.488 -1.301 . . . . 73.44 107.488 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -99.59 -47.97 4.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.195 0.998 . . . . 72.44 108.365 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.71 143.87 43.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.266 -1.334 . . . . 55.1 109.472 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.48 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 49.8 pttt -67.65 -26.18 66.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.718 0.807 . . . . 75.24 111.189 177.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.2 pt-20 -70.22 -40.32 74.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.614 0.766 . . . . 70.44 110.985 171.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.74 -35.73 77.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.7 0.8 . . . . 73.41 111.739 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 13' ' ' ILE . 65.0 t -70.94 -53.53 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 O-C-N 123.458 0.474 . . . . 74.53 110.646 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.562 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 65.0 pttt -65.62 -35.74 81.67 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 111.9 0.333 . . . . 73.34 111.9 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.15 -46.68 87.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.35 1.06 . . . . 72.3 111.605 170.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.27 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.537 0.735 . . . . 74.25 111.644 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 17' ' ' VAL . 62.1 t -64.94 -56.89 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.261 -0.881 . . . . 75.45 110.092 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -52.71 -43.87 65.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.093 0.957 . . . . 64.25 111.701 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.68 -42.73 81.65 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.308 -0.86 . . . . 72.21 110.99 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -63.16 -32.51 73.92 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.073 0.949 . . . . 71.43 110.986 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.437 HD12 HD12 ' A' ' 28' ' ' ILE . 81.7 mt -76.09 -46.59 28.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.513 1.125 . . . . 74.23 111.35 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.03 -25.29 63.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.172 0.589 . . . . 73.31 112.03 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 72.34 110.943 172.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 C--O 1.241 0.635 0 N-CA-C 110.532 -0.174 . . . . 75.42 110.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' MET . 5.2 t -96.66 131.88 42.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.23 -1.026 . . . . 63.43 108.23 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 29' ' ' GLN . 65.3 t -131.67 121.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.006 -0.739 . . . . 75.11 109.006 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' HD1' ' HB ' ' A' ' 50' ' ' ILE . 59.2 t80 -97.11 106.45 18.78 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.597 -0.52 . . . . 74.55 109.597 175.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 37' ' ' ILE . 58.6 tp -94.34 139.95 30.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.834 -1.173 . . . . 52.14 107.834 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -151.29 170.22 20.04 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.608 0.718 . . . . 74.11 111.398 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.57 -33.46 11.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.73 1.612 . . . . 62.11 110.696 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -123.13 144.16 49.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.001 0.52 . . . . 74.24 111.628 -172.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.22 -45.65 72.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.914 1.286 . . . . 74.44 112.777 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.71 -24.22 67.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.084 0.554 . . . . 73.33 111.394 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.542 HG21 ' HG2' ' A' ' 52' ' ' LYS . 43.0 mm -70.32 -52.72 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-N 114.993 -1.003 . . . . 71.34 109.135 173.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.4 -42.0 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.044 1.338 . . . . 74.41 111.896 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.87 -43.87 97.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.165 0.986 . . . . 73.11 111.305 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 11.0 mm-40 -70.51 -39.81 73.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.724 0.81 . . . . 64.2 112.104 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 108' ' ' VAL . 58.9 t -65.71 -43.07 93.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 123.243 0.617 . . . . 74.31 111.233 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.5 t -64.81 -35.9 82.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.909 0.884 . . . . 73.52 110.65 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 3.9 tppp? -63.35 -48.79 76.49 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.067 0.547 . . . . 75.13 110.248 175.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -41.87 83.96 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.362 0.665 . . . . 74.45 111.063 176.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 28' ' ' ILE . . . -65.21 -35.71 81.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.663 0.785 . . . . 74.51 111.605 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.16 -53.04 15.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.126 0.57 . . . . 73.13 110.301 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 31.9 mm-40 -57.7 -37.84 74.2 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.069 0.856 . . . . 71.11 112.505 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -90.5 -20.37 22.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 111.95 0.352 . . . . 75.51 111.95 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 30.9 27.83 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.091 0.396 . . . . 73.21 114.091 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -85.04 149.04 25.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.52 0.728 . . . . 72.42 110.377 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -96.58 87.22 4.32 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.771 0.829 . . . . 71.15 109.141 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 21' ' ' ALA . 16.6 mt -112.96 108.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.846 -0.615 . . . . 75.13 109.87 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.2 tp-100 -78.28 118.09 20.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.688 -0.856 . . . . 75.13 108.688 174.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.28 135.56 39.73 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.439 0.696 . . . . 75.14 109.976 -175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -147.93 157.06 43.33 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.531 0.732 . . . . 75.11 110.778 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.61 -12.78 10.28 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.812 1.245 . . . . 74.45 109.651 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.54 104.1 16.09 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.547 0.739 . . . . 73.34 109.996 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -68.47 -26.39 65.47 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.781 0.832 . . . . 75.4 112.298 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.89 -41.25 95.68 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 123.549 0.531 . . . . 74.31 110.748 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.3 tt0 -62.47 -50.82 69.9 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.192 -0.913 . . . . 70.14 109.77 174.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.551 HD13 HG12 ' A' ' 5' ' ' VAL . 41.7 mm -63.35 -43.94 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.622 1.169 . . . . 73.43 112.678 -169.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.541 HG21 ' HG3' ' A' ' 65' ' ' GLN . 73.5 mt -54.36 -45.34 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.856 1.263 . . . . 74.22 110.545 174.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.16 -33.23 75.51 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.462 -1.244 . . . . 75.04 110.893 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtp180 -75.56 -36.27 60.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.627 0.771 . . . . 75.02 111.058 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.11 -39.84 87.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.364 0.666 . . . . 65.13 110.557 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -57.56 -38.83 75.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 123.719 0.637 . . . . 74.44 111.557 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -79.92 -12.77 59.71 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.035 0.934 . . . . 75.52 112.574 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 61.74 30.07 18.27 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 123.953 0.783 . . . . 64.5 109.836 -166.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 19.5 t-20 -71.66 -27.11 62.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.631 -1.168 . . . . 74.45 109.798 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.412 HG21 ' HB ' ' A' ' 49' ' ' ILE . 27.6 mt -115.81 129.32 72.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.837 1.255 . . . . 75.43 108.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.67 -32.55 13.33 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.281 0.633 . . . . 74.12 111.433 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.2 ptm -150.09 129.86 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.644 0.735 . . . . 72.5 109.402 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.1 tt -133.69 146.17 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.426 1.091 . . . . 72.52 109.195 -168.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.425 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 55.2 mt -129.2 123.53 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.333 -0.988 . . . . 72.42 108.333 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.504 HG22 HG21 ' A' ' 62' ' ' ILE . 58.9 t -117.33 111.46 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.477 0.711 . . . . 73.11 109.869 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HG2' HG21 ' A' ' 13' ' ' ILE . 45.9 tptt -99.59 106.91 18.93 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.94 -0.763 . . . . 74.01 108.94 173.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.414 HG21 HG13 ' A' ' 51' ' ' VAL . 10.7 t -166.52 159.56 14.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.02 0.928 . . . . 74.33 109.473 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.596 0.758 . . . . 72.5 110.816 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -77.35 105.44 8.47 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.586 -0.894 . . . . 75.43 108.586 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -58.07 -33.45 69.06 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.36 1.464 . . . . 74.53 111.92 -172.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.05 -31.18 50.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.658 0.783 . . . . 74.24 111.578 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -66.85 -47.91 70.45 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.126 0.571 . . . . 74.11 109.498 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.05 -50.64 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 114.009 -1.451 . . . . 73.22 109.893 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -55.06 -51.31 66.75 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 124.517 1.135 . . . . 75.1 111.734 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 61.4 mm-40 -61.54 -45.86 92.36 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.82 0.7 . . . . 75.33 112.128 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.504 HG21 HG22 ' A' ' 51' ' ' VAL . 1.7 mp -57.88 -49.56 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.397 0.435 . . . . 72.54 110.303 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.515 HD13 HG13 ' A' ' 75' ' ' ILE . 80.5 mt -59.83 -42.06 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 O-C-N 123.805 0.691 . . . . 73.12 110.593 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -57.67 -40.78 80.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.839 0.856 . . . . 74.14 110.96 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HG3' HG21 ' A' ' 38' ' ' ILE . 12.3 mm100 -70.44 -35.36 73.33 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.708 -0.678 . . . . 73.22 111.145 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 71' ' ' ALA . 74.7 t -77.59 -30.78 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 75.23 111.738 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.5 mt -67.01 -36.6 82.51 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.307 -0.627 . . . . 73.2 109.307 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.34 -41.62 32.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.526 -1.216 . . . . 73.25 111.775 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -77.87 -40.45 40.02 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.938 0.495 . . . . 72.2 110.606 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.05 44.8 4.03 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 115.76 -0.654 . . . . 72.5 112.473 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB2' HG13 ' A' ' 66' ' ' VAL . . . -99.69 174.01 6.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.282 0.633 . . . . 53.41 110.091 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -94.67 133.51 38.27 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 107.281 -1.377 . . . . 73.44 107.281 168.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 93' ' ' VAL . 6.5 p -131.85 126.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.024 0.375 . . . . 62.23 110.43 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' A' ' 111' ' ' PHE . 56.1 tp -108.37 109.87 21.29 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.999 0.92 . . . . 73.04 108.908 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 95' ' ' THR . 45.8 mm -91.93 116.04 32.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 123.771 0.829 . . . . 74.11 109.115 175.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 92.4 mt -110.32 125.56 53.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.232 1.013 . . . . 73.54 108.364 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 t -145.54 151.56 38.33 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.988 -0.745 . . . . 62.21 108.988 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -74.87 -35.84 62.31 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.901 0.48 . . . . 71.24 111.304 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -88.43 127.26 35.5 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.27 0.557 . . . . 64.41 110.441 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HB3' ' HD2' ' A' ' 97' ' ' ARG . 12.6 pt-20 -74.03 -18.29 60.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.957 -1.019 . . . . 54.21 111.725 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -82.32 -28.6 31.54 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.741 -0.466 . . . . 71.13 109.741 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.414 ' O ' HG12 ' A' ' 86' ' ' ILE . 75.6 mt -65.4 -54.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 N-CA-C 108.449 -0.945 . . . . 71.21 108.449 168.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 33.3 mm -50.99 -46.96 30.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 O-C-N 124.441 1.088 . . . . 72.25 110.655 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.23 -45.37 91.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.668 0.787 . . . . 74.52 111.208 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -61.66 -38.27 87.15 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.09 0.556 . . . . 64.24 110.942 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.479 HG23 HG12 ' A' ' 93' ' ' VAL . 46.5 mm -70.66 -29.78 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 123.103 0.561 . . . . 74.35 110.682 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 41.6 mtm180 -73.02 -37.02 67.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.73 0.412 . . . . 74.55 111.676 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.41 -37.72 31.63 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 111.682 0.252 . . . . 75.14 111.682 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.11 -45.82 66.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.913 0.485 . . . . 75.35 110.432 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.505 ' O ' HG11 ' A' ' 93' ' ' VAL . 22.9 m-85 -125.21 93.15 45.92 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.414 -0.958 . . . . 74.03 108.414 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.6 -29.34 52.29 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 C-N-CA 121.71 1.606 . . . . 72.34 113.913 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -80.96 -2.15 46.6 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 113.655 0.983 . . . . 75.14 113.655 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.69 HG21 HG13 ' A' ' 73' ' ' VAL . 11.3 p -82.46 147.94 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.166 0.439 . . . . 75.41 110.242 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.55 120.0 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.472 -1.307 . . . . 74.41 107.472 165.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 75' ' ' ILE . 31.5 p -123.19 150.68 43.05 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.383 0.673 . . . . 72.11 109.248 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -158.32 126.01 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.652 -1.24 . . . . 74.43 107.652 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HD2' ' HB3' ' A' ' 80' ' ' GLU . 66.6 ttt180 -67.17 118.31 10.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.42 -0.585 . . . . 74.24 109.42 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 76' ' ' LEU . . . -137.72 105.85 5.72 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 107.247 -1.39 . . . . 74.51 107.247 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.94 -55.94 3.43 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.711 0.632 . . . . 73.14 109.897 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -96.22 159.22 15.07 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.778 -1.101 . . . . 63.02 109.472 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.37 -30.16 64.64 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.789 1.236 . . . . 64.4 112.437 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.2 pt-20 -62.27 -48.68 78.85 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.557 0.743 . . . . 74.15 110.523 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.55 -36.63 83.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.869 0.868 . . . . 73.11 111.41 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.41 -53.85 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 123.785 0.678 . . . . 65.14 110.755 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 58.4 pttt -63.33 -33.87 76.47 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.573 0.546 . . . . 75.12 111.32 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.74 -45.49 89.63 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.417 0.687 . . . . 75.35 111.389 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.94 85.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.432 0.693 . . . . 72.43 111.38 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 17' ' ' VAL . 72.1 t -62.51 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 124.099 0.96 . . . . 75.01 110.333 176.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.37 -48.29 68.71 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.93 0.892 . . . . 74.22 111.001 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.38 -18.9 58.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.384 1.074 . . . . 75.3 111.926 -176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.413 ' HB2' HD22 ' A' ' 74' ' ' LEU . 65.9 t80 -71.57 -39.49 70.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.429 -0.582 . . . . 70.55 109.429 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.1 mt -80.07 -48.91 12.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.008 -0.996 . . . . 70.41 112.19 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -73.66 -34.22 64.82 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.056 0.543 . . . . 71.0 112.269 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 122.041 0.136 . . . . 73.43 110.661 176.802 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.42 0.629 . . . . 70.21 109.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.98 82.09 1.46 Allowed Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.378 -1.489 . . . . 71.34 109.378 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.26 95.82 0.14 Allowed 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.462 0.705 . . . . 72.11 111.051 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.96 120.89 37.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.004 -1.11 . . . . 73.33 108.004 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.2 t -124.24 117.41 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.454 -0.572 . . . . 75.44 109.454 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -88.63 146.96 24.79 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 75.15 109.844 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.5 tp -135.61 130.36 34.3 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.01 1.324 . . . . 74.52 108.462 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 38.1 t -156.09 138.81 15.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.627 0.771 . . . . 71.41 109.207 170.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.4 -21.17 60.56 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.949 0.9 . . . . 72.33 111.04 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -101.47 134.2 44.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.663 0.785 . . . . 75.31 110.509 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.09 -46.51 74.02 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.026 0.93 . . . . 75.14 112.33 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.48 -24.82 67.99 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.75 0.42 . . . . 73.53 112.061 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 101' ' ' LYS . 29.3 mm -68.95 -51.91 39.62 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 N-CA-C 109.141 -0.689 . . . . 74.25 109.141 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -54.77 -39.49 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.709 1.204 . . . . 74.34 111.371 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.51 -41.56 96.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.8 0.84 . . . . 75.02 111.365 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.639 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 43.9 mm-40 -74.46 -37.06 63.33 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.799 0.687 . . . . 74.22 112.083 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 108' ' ' VAL . 78.1 t -68.09 -40.95 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.272 0.629 . . . . 74.33 110.515 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 t -67.07 -31.54 72.11 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.542 -0.754 . . . . 64.23 110.578 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.8 tppt? -71.23 -44.92 64.39 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.228 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -60.45 -39.39 87.37 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.18 0.592 . . . . 75.21 110.679 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.59 -26.14 66.12 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.724 -0.671 . . . . 65.44 111.542 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.0 -53.51 8.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.413 0.685 . . . . 63.41 110.399 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 12.9 mm-40 -55.52 -49.78 71.73 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.778 0.831 . . . . 71.52 111.774 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.49 -20.48 29.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.701 0.8 . . . . 72.42 112.275 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 38.13 47.74 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.526 -0.23 . . . . 72.13 112.526 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -83.34 143.86 30.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 73.44 111.298 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.87 107.87 16.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.238 1.015 . . . . 74.4 109.446 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 21' ' ' ALA . 22.2 mt -136.44 143.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.216 0.606 . . . . 71.23 109.475 174.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -105.55 114.52 28.73 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.269 -1.011 . . . . 73.32 108.269 165.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -96.91 132.93 42.18 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.583 -0.525 . . . . 75.12 109.583 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -131.66 149.63 52.43 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.101 0.96 . . . . 63.03 109.355 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.2 t-20 -101.19 -28.68 12.53 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.337 0.655 . . . . 74.34 110.74 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.82 120.07 36.48 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.515 0.726 . . . . 62.2 111.404 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HD3' ' HB3' ' A' ' 58' ' ' SER . 13.2 ptpt -69.18 -33.65 73.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.981 0.913 . . . . 74.3 112.98 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.39 -36.7 81.86 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.056 0.543 . . . . 75.22 110.533 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 23.3 tt0 -58.14 -50.3 73.99 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 114.955 -1.02 . . . . 70.3 109.587 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.95 -38.23 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 114.776 -1.102 . . . . 75.32 111.656 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 98.4 mt -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.459 0.703 . . . . 65.31 110.069 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 29.1 t70 -74.46 -31.05 62.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.224 0.609 . . . . 70.33 111.721 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.4 mtp180 -70.74 -34.37 71.8 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.166 0.508 . . . . 74.34 110.001 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.52 -26.42 55.22 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.19 -0.914 . . . . 65.2 110.833 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 10.3 mtpm? -64.78 -34.51 78.52 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.251 0.62 . . . . 72.42 110.566 170.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -85.6 -7.92 58.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.3 0.64 . . . . 74.35 111.163 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.32 21.73 10.01 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 125.077 1.351 . . . . 74.4 111.734 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -88.08 11.6 15.73 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.96 0.904 . . . . 71.54 112.581 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.518 HG23 ' HB ' ' A' ' 49' ' ' ILE . 49.2 mt -110.52 122.87 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.369 -0.975 . . . . 71.14 108.369 169.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.06 -39.28 23.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.272 0.629 . . . . 71.02 110.671 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.661 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 13.9 ptm -151.28 135.16 16.51 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.042 0.937 . . . . 65.12 108.903 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.518 ' HB ' HG23 ' A' ' 46' ' ' ILE . 9.4 tt -134.63 148.74 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.36 0.664 . . . . 72.34 110.343 -169.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG21 HG23 ' A' ' 108' ' ' VAL . 56.6 mt -133.1 119.11 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.023 -1.103 . . . . 72.34 108.023 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 62' ' ' ILE . 58.9 t -115.51 114.87 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.488 0.715 . . . . 71.32 109.796 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -107.43 112.9 25.91 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.914 0.885 . . . . 73.01 109.401 173.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -174.84 162.88 3.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.556 1.142 . . . . 73.04 109.124 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.03 -8.56 30.11 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.466 0.707 . . . . 74.15 109.938 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.12 95.92 1.02 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 73.33 109.897 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -56.25 -30.2 62.1 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.848 1.259 . . . . 75.32 112.234 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.93 -47.77 84.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.119 0.967 . . . . 75.31 111.425 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 68.7 p -71.37 -48.31 50.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.852 0.461 . . . . 72.24 110.394 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.2 mt -51.04 -54.41 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 123.898 0.749 . . . . 75.25 110.656 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.34 -58.02 9.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 62.44 111.482 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 53.7 mm-40 -64.02 -42.73 97.03 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.598 0.592 . . . . 73.44 112.598 -172.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 51' ' ' VAL . 1.6 mp -57.17 -49.08 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 123.537 0.523 . . . . 73.4 110.164 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 75' ' ' ILE . 86.9 mt -58.57 -42.93 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 122.669 0.388 . . . . 74.43 110.687 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -62.56 -30.88 71.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.826 0.85 . . . . 75.25 111.142 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.1 mm100 -77.75 -30.72 51.71 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.825 -0.625 . . . . 74.02 111.618 173.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.566 HG13 ' HB ' ' A' ' 73' ' ' VAL . 79.7 t -74.05 -30.61 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 122.965 0.506 . . . . 73.33 110.655 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.4 mt -62.27 -40.62 96.84 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.58 -0.526 . . . . 74.23 109.58 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.62 -42.1 91.93 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.253 -0.885 . . . . 73.33 110.852 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.48 ' HG ' ' HA ' ' A' ' 66' ' ' VAL . 78.8 p -80.41 -24.86 39.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.809 0.444 . . . . 72.44 112.135 -173.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.59 25.96 74.86 Favored Glycine 0 C--N 1.348 1.23 0 O-C-N 123.234 0.334 . . . . 52.12 112.646 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.505 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -84.62 172.2 11.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.755 . . . . 63.42 111.217 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.661 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -84.57 139.34 32.17 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.815 -1.18 . . . . 73.14 107.815 170.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 93' ' ' VAL . 4.6 p -136.17 130.85 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.146 0.578 . . . . 75.31 110.567 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.46 113.88 22.02 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.166 0.986 . . . . 63.44 108.805 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.504 ' HB ' HG21 ' A' ' 95' ' ' THR . 48.6 mm -97.67 125.61 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 123.479 0.712 . . . . 74.1 109.544 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 122.49 38.26 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.853 1.261 . . . . 74.44 108.257 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.6 p -146.56 152.55 39.13 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.641 -0.504 . . . . 54.24 109.641 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.5 t -67.33 -33.27 74.91 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.801 0.84 . . . . 74.1 110.684 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -91.23 122.64 34.03 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-N 115.202 -0.908 . . . . 72.3 111.045 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -72.28 -23.2 61.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.597 -1.183 . . . . 62.23 111.304 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -74.81 -33.85 62.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.992 -0.744 . . . . 74.55 108.992 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.412 HG12 ' HE2' ' A' ' 56' ' ' LYS . 80.9 mt -64.3 -54.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 N-CA-C 109.191 -0.67 . . . . 73.05 109.191 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.538 HG22 ' HB ' ' A' ' 95' ' ' THR . 31.2 mm -51.1 -53.75 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 124.179 0.924 . . . . 70.15 110.572 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 -38.17 90.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.771 0.828 . . . . 73.52 111.967 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 m -59.16 -42.82 91.68 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.498 0.319 . . . . 71.53 110.707 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.582 HG23 HG13 ' A' ' 93' ' ' VAL . 46.3 mm -69.17 -31.66 50.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.776 -0.647 . . . . 73.15 110.817 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 72.2 mtp85 -70.19 -46.44 64.59 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.979 0.512 . . . . 73.14 111.755 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -74.33 -30.41 62.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.533 0.333 . . . . 70.21 111.395 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -76.79 -41.66 43.65 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.808 0.443 . . . . 73.32 110.799 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 93' ' ' VAL . 34.9 m-85 -125.23 104.22 29.14 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 123.451 0.7 . . . . 70.14 109.143 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.51 -29.77 24.5 Favored 'Trans proline' 0 C--N 1.368 1.569 0 C-N-CA 122.18 1.92 . . . . 74.11 113.497 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -85.82 -6.63 59.07 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.714 1.005 . . . . 75.01 113.714 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.687 HG23 HG11 ' A' ' 73' ' ' VAL . 12.4 p -75.69 141.94 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.097 0.408 . . . . 74.5 110.328 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.457 ' HG3' ' HE1' ' A' ' 111' ' ' PHE . 9.9 mm-40 -85.31 127.18 34.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 106.658 -1.608 . . . . 74.13 106.658 167.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.538 ' HB ' HG22 ' A' ' 83' ' ' ILE . 3.2 p -135.85 140.53 44.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.868 0.467 . . . . 65.04 109.819 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HD2' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -153.85 138.0 16.5 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.559 -0.904 . . . . 70.41 108.559 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -77.54 119.87 21.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.648 -0.871 . . . . 73.42 108.648 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.03 105.17 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.22 -1.03 . . . . 71.43 108.22 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -94.6 -53.01 4.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.769 -0.826 . . . . 73.24 108.769 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.62 154.38 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.215 -0.902 . . . . 72.01 109.129 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.554 ' HB3' HD11 ' A' ' 13' ' ' ILE . 41.4 pttt -63.55 -20.35 65.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.353 1.061 . . . . 74.42 112.362 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.615 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 53.7 mm-40 -62.37 -50.2 72.49 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.439 0.696 . . . . 74.33 110.934 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.33 -33.19 74.98 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.087 -0.961 . . . . 73.43 112.019 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG21 HD12 ' A' ' 13' ' ' ILE . 46.5 t -65.5 -57.28 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.595 -0.73 . . . . 65.44 110.138 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.639 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.4 pttt -65.96 -32.14 73.45 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.343 0.402 . . . . 75.13 111.669 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.89 -53.42 58.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.567 0.747 . . . . 73.53 111.058 170.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.42 ' HB2' ' HD2' ' A' ' 96' ' ' ARG . . . -61.25 -38.86 88.19 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.998 0.811 . . . . 72.54 111.383 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 17' ' ' VAL . 55.2 t -60.42 -48.23 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.424 -0.807 . . . . 73.01 109.654 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.16 -47.75 83.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.506 -0.77 . . . . 74.05 111.514 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -61.03 -37.01 81.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.924 0.89 . . . . 72.42 111.221 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' HE1' ' HG3' ' A' ' 94' ' ' GLU . 47.3 t80 -64.3 -42.5 96.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.384 -1.28 . . . . 73.14 110.087 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -79.44 -33.57 42.35 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.542 -0.754 . . . . 74.3 112.981 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -59.33 -44.92 92.55 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.21 0.529 . . . . 74.25 110.503 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -94.23 10.9 32.17 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.889 -1.051 . . . . 73.11 111.888 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.14 19.07 71.73 Favored Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.132 0.813 . . . . 61.52 115.132 170.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.35 9.57 5.93 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-N 117.071 0.436 . . . . 44.23 113.133 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.9 m -113.92 86.1 2.34 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.266 0.626 . . . . 61.5 109.894 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' HB2' ' HD1' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -95.5 -62.69 1.25 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.11 -0.7 . . . . 74.1 109.11 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.13 108.75 12.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.747 -0.66 . . . . 72.23 110.086 -173.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -165.6 113.72 0.97 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.856 1.262 . . . . 73.24 108.261 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -77.28 -164.45 0.47 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.211 -0.663 . . . . 72.44 109.211 169.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -72.36 76.3 1.02 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.569 0.7 . . . . 73.5 109.467 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -80.27 -31.95 38.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.923 -1.035 . . . . 73.15 110.158 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -94.89 116.84 29.22 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.715 -0.846 . . . . 73.33 108.715 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 40.9 t60 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 123.654 0.782 . . . . 74.14 110.805 178.617 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.846 -0.427 . . . . 74.13 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.86 66.37 1.94 Allowed Glycine 0 C--N 1.344 0.997 0 O-C-N 123.583 0.552 . . . . 75.55 112.502 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -63.75 103.18 0.53 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.808 0.443 . . . . 72.23 110.24 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -87.36 127.91 40.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 124.685 1.241 . . . . 71.53 109.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 29' ' ' GLN . 74.7 t -131.43 123.32 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 108.458 -0.941 . . . . 60.51 108.458 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 30' ' ' THR . 70.6 t80 -102.59 131.24 49.47 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.169 -0.678 . . . . 73.45 109.169 173.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -124.09 140.72 52.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.479 1.112 . . . . 74.32 108.468 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 m -148.02 156.04 42.19 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.996 -0.742 . . . . 74.34 108.996 164.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.72 -25.82 41.03 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.472 -0.785 . . . . 64.42 109.255 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.48 143.3 28.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.643 0.777 . . . . 73.41 111.138 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -76.3 -46.33 28.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.044 0.938 . . . . 64.32 112.258 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.19 -29.58 70.47 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.721 0.408 . . . . 62.04 111.968 -173.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 HD13 HG22 ' A' ' 104' ' ' VAL . 36.5 mm -62.6 -49.18 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 O-C-N 123.745 0.653 . . . . 74.22 110.086 172.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.44 -37.33 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.374 1.07 . . . . 75.21 111.832 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.0 -37.65 86.47 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.325 0.65 . . . . 73.33 110.791 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.585 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 60.2 mm-40 -67.36 -47.94 68.93 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.96 0.904 . . . . 74.41 111.779 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 105' ' ' LYS . 76.1 t -66.88 -39.02 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.545 -0.752 . . . . 75.42 111.152 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 t -73.4 -30.59 63.35 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.294 0.638 . . . . 70.51 110.8 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.3 tppt? -66.39 -50.47 63.35 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.46 -0.571 . . . . 74.05 109.46 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -65.01 -33.19 75.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.094 0.558 . . . . 74.3 111.158 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.54 72.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.276 0.631 . . . . 74.41 111.218 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.61 -50.02 28.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.632 0.773 . . . . 70.33 110.474 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 14.3 mm-40 -59.46 -39.46 83.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.69 . . . . 63.32 111.86 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -92.48 -12.38 32.19 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.933 -0.576 . . . . 71.25 112.517 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.15 17.9 77.41 Favored Glycine 0 N--CA 1.47 0.926 0 O-C-N 123.195 0.31 . . . . 64.13 113.514 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.535 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 25.8 m-85 -69.45 114.51 7.75 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 122.799 0.44 . . . . 73.54 110.237 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.53 105.25 7.48 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.89 -0.781 . . . . 74.45 108.89 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.3 mt -127.36 128.84 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.818 0.847 . . . . 71.24 109.355 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.56 ' HB3' HG21 ' A' ' 5' ' ' VAL . 19.0 tp60 -77.59 106.53 9.43 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.922 -1.14 . . . . 73.11 107.922 167.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.433 HG21 ' HB3' ' A' ' 6' ' ' PHE . 24.2 p -98.96 141.2 32.03 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.31 0.644 . . . . 73.32 109.282 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.498 ' HB3' HD13 ' A' ' 37' ' ' ILE . 41.9 t -155.57 140.34 17.1 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.629 0.772 . . . . 75.21 110.289 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -83.03 -42.55 17.37 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.965 0.906 . . . . 65.41 109.702 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.89 110.3 7.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.272 -0.876 . . . . 73.42 110.771 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.52 -31.11 72.18 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.859 -1.064 . . . . 72.34 112.019 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.25 -32.31 72.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.81 0.444 . . . . 73.42 111.098 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 16.6 tp10 -60.47 -50.25 74.31 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.697 0.799 . . . . 74.55 109.469 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' A' ' 31' ' ' SER . 44.9 mm -68.58 -39.84 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.235 -0.893 . . . . 74.31 112.574 -172.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.442 HG22 ' HG3' ' A' ' 65' ' ' GLN . 92.2 mt -58.49 -39.34 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.592 0.757 . . . . 75.45 109.683 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.528 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 13.3 t70 -68.67 -36.91 79.16 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.734 -1.121 . . . . 73.34 110.997 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 39.7 mtp85 -70.39 -31.79 69.18 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.997 0.519 . . . . 73.13 110.916 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.79 -33.08 73.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.778 0.831 . . . . 74.22 110.606 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 39' ' ' ASP . 67.1 mttm -63.63 -39.13 93.59 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.216 0.606 . . . . 74.42 110.752 171.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 24.7 mtt180 -76.48 -18.14 58.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.127 0.571 . . . . 74.31 110.301 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 69.55 22.91 6.12 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.613 1.565 . . . . 73.43 111.26 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.414 ' OD1' ' HD2' ' A' ' 43' ' ' ARG . 12.2 m120 -64.21 -24.74 67.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.996 0.918 . . . . 63.31 111.988 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 HG21 ' HB ' ' A' ' 49' ' ' ILE . 25.9 mt -96.36 133.43 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.706 0.803 . . . . 74.03 110.01 -171.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.32 -45.43 6.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.468 0.651 . . . . 63.43 109.9 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -138.87 132.74 30.96 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.075 -0.966 . . . . 75.24 109.088 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.2 tt -139.02 142.66 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.48 0.712 . . . . 75.22 109.44 -172.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.502 HD13 HG11 ' A' ' 108' ' ' VAL . 63.8 mt -129.18 122.11 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.97 -1.122 . . . . 75.02 107.97 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 62' ' ' ILE . 58.4 t -118.24 120.95 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.622 0.769 . . . . 74.4 109.657 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -110.15 107.07 16.75 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.09 -0.708 . . . . 74.53 109.09 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.413 ' O ' HD13 ' A' ' 59' ' ' ILE . 9.1 t -164.84 156.84 15.73 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.344 1.058 . . . . 72.31 108.352 170.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' HD11 ' A' ' 82' ' ' ILE . 1.7 mp0 -93.45 -16.11 24.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.688 0.795 . . . . 71.32 109.992 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.23 96.82 0.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.316 0.646 . . . . 70.3 109.299 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.621 ' HB2' ' HZ3' ' A' ' 56' ' ' LYS . 9.5 mtmp? -56.05 -31.61 63.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.318 1.047 . . . . 74.01 112.919 -175.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -73.12 -37.37 66.69 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.417 0.687 . . . . 74.13 111.236 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.2 p -74.04 -43.75 56.73 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.837 0.455 . . . . 53.53 110.138 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG21 HD13 ' A' ' 75' ' ' ILE . 88.4 mt -51.75 -47.49 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.193 0.933 . . . . 75.54 109.875 173.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -52.23 -52.91 49.61 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.284 -1.325 . . . . 70.14 112.087 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.3 -49.62 76.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.432 0.693 . . . . 64.32 111.456 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.512 HG23 HG22 ' A' ' 51' ' ' VAL . 1.9 mp -58.31 -50.71 77.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.67 0.606 . . . . 71.3 110.417 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.532 HD11 HG13 ' A' ' 75' ' ' ILE . 69.0 mt -59.13 -41.01 82.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 O-C-N 123.446 0.466 . . . . 64.11 110.879 -178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -57.81 -41.02 81.3 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.095 0.558 . . . . 73.34 110.934 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 38' ' ' ILE . 13.3 mm100 -69.65 -33.57 72.78 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 123.652 0.595 . . . . 75.25 111.32 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 71' ' ' ALA . 90.6 t -76.99 -28.57 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 C-N-CA 123.657 0.783 . . . . 73.23 111.127 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -68.46 -43.33 77.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.202 -1.036 . . . . 70.1 108.202 173.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.29 -41.94 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.149 -1.387 . . . . 75.13 111.461 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -88.51 -16.52 32.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 65.23 112.456 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.37 42.21 83.1 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.265 0.353 . . . . 74.1 113.558 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -103.88 174.97 5.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.697 0.799 . . . . 75.15 111.985 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HZ3' ' HB3' ' A' ' 125' ' ' HIS . 0.0 OUTLIER -89.43 135.79 33.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.912 0.885 . . . . 75.41 108.654 176.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.706 HG12 HG23 ' A' ' 93' ' ' VAL . 7.1 p -144.09 139.38 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 122.646 0.379 . . . . 72.44 111.365 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.3 tp -118.59 116.6 26.95 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 108.188 -1.042 . . . . 73.14 108.188 173.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.547 ' HB ' HG23 ' A' ' 95' ' ' THR . 46.2 mm -97.25 122.88 49.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.228 -0.656 . . . . 73.1 109.228 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.79 129.64 56.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.345 1.058 . . . . 65.34 108.4 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.6 m -143.07 139.54 30.54 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.099 -1.075 . . . . 64.33 108.099 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 p -64.39 -26.93 68.68 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 122.971 0.508 . . . . 73.11 110.919 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -95.94 121.34 37.58 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.029 -0.987 . . . . 63.43 110.017 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 13.4 pt-20 -83.4 -13.79 54.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.75 0.82 . . . . 71.42 112.564 -174.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -30.16 48.6 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.036 -0.727 . . . . 73.33 109.036 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.535 HG22 ' HG2' ' A' ' 56' ' ' LYS . 66.2 mt -67.38 -49.33 72.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 115.042 -0.981 . . . . 75.54 109.014 168.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 27.2 mm -53.35 -41.89 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 123.477 0.485 . . . . 73.12 111.351 173.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.72 -45.97 90.25 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.153 0.981 . . . . 74.35 110.309 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -61.02 -38.62 86.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.032 0.933 . . . . 74.21 111.569 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.0 mm -69.39 -34.11 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.467 0.707 . . . . 74.41 111.146 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 18.2 mtm180 -75.98 -30.28 58.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.565 0.346 . . . . 74.44 111.802 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -88.47 -32.46 18.24 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 111.956 0.354 . . . . 75.32 111.956 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -77.07 -42.55 37.85 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.923 0.489 . . . . 71.11 110.076 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.512 ' O ' HG11 ' A' ' 93' ' ' VAL . 10.0 m-85 -119.7 95.88 49.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 107.658 -1.238 . . . . 74.1 107.658 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.19 -26.68 35.93 Favored 'Trans proline' 0 C--N 1.363 1.296 0 C-N-CA 122.048 1.832 . . . . 74.24 113.445 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.01 7.86 44.75 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.659 0.985 . . . . 74.24 113.659 -170.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.706 HG23 HG12 ' A' ' 73' ' ' VAL . 9.7 p -90.88 132.22 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 118.227 0.467 . . . . 72.43 110.444 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.35 131.65 41.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.547 HG23 ' HB ' ' A' ' 75' ' ' ILE . 80.7 p -136.47 161.82 34.78 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.301 0.64 . . . . 71.44 110.054 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -159.31 139.4 11.96 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.173 -1.047 . . . . 74.54 108.173 169.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 48.1 ttp180 -67.69 123.22 19.88 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.468 -0.938 . . . . 74.24 108.468 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.36 102.39 6.16 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 107.885 -1.154 . . . . 73.44 107.885 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.33 -63.64 1.37 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.309 0.644 . . . . 74.04 109.553 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.3 m-20 -77.72 156.77 30.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.381 -1.281 . . . . 73.43 109.979 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.585 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.3 pttp -60.43 -26.84 67.03 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.832 0.853 . . . . 72.12 110.135 169.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 21.5 mm-40 -62.85 -51.93 65.11 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.527 1.131 . . . . 75.54 110.454 172.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 100' ' ' ASP . 18.7 mm-40 -54.48 -40.41 68.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.743 0.817 . . . . 54.43 111.4 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 HD13 ' A' ' 13' ' ' ILE . 48.5 t -67.49 -58.13 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 123.816 0.698 . . . . 71.43 111.448 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 56.5 pttt -65.06 -34.45 78.46 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.447 0.467 . . . . 72.44 111.832 -171.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.48 -31.52 63.8 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.387 0.675 . . . . 75.45 112.293 174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.485 0.314 . . . . 74.44 111.008 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 98.4 t -67.06 -56.96 11.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 108.897 -0.779 . . . . 74.13 108.897 174.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 41.5 tt0 -49.49 -44.02 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.099 1.36 . . . . 74.51 111.688 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 33.4 tt0 -68.04 -47.56 68.05 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.065 0.853 . . . . 74.51 111.234 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -58.24 -27.23 63.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.957 0.903 . . . . 74.34 110.605 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 61.2 mt -80.79 -43.45 20.09 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.936 0.894 . . . . 71.32 111.566 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.9 mttm -59.96 -43.76 94.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.808 0.443 . . . . 75.43 110.54 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 9.0 mm-40 -77.97 -20.23 53.06 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.291 -0.868 . . . . 73.44 110.61 -178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.44 -44.37 2.77 Favored Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.792 -0.523 . . . . 35.15 111.792 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.44 145.73 12.69 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.233 -1.547 . . . . 71.32 109.233 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 121' ' ' HIS . 67.4 m 62.08 175.7 0.13 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.339 1.237 . . . . 73.21 114.339 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.88 -52.84 1.88 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.842 0.857 . . . . 74.11 110.263 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.98 -66.82 0.59 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.026 0.441 . . . . 71.35 110.042 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -126.96 127.81 45.42 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.023 -1.103 . . . . 73.24 108.023 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 117' ' ' SER . 28.4 m-70 -79.29 129.97 34.99 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.226 1.01 . . . . 63.32 112.889 -156.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.476 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 7.7 t-160 -79.76 74.67 6.46 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.472 1.109 . . . . 75.32 108.995 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -94.0 53.6 1.8 Allowed 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.221 1.01 . . . . 75.33 109.65 177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -149.87 122.94 8.84 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.113 -1.403 . . . . 75.44 108.519 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.45 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 12.2 p80 . . . . . 0 C--O 1.248 0.984 0 C-N-CA 123.776 0.83 . . . . 74.51 109.071 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.073 -0.714 . . . . 75.5 109.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.83 87.13 1.41 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 115.78 -0.646 . . . . 61.2 112.886 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -155.71 97.8 1.87 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.134 0.492 . . . . 75.54 110.513 165.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -94.11 135.08 29.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.545 -1.207 . . . . 73.24 107.907 166.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.564 HG22 ' HB3' ' A' ' 29' ' ' GLN . 70.3 t -129.15 119.79 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.652 -0.87 . . . . 64.31 108.652 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 30' ' ' THR . 84.9 t80 -98.74 118.32 35.2 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.468 -0.568 . . . . 75.32 109.468 173.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.9 tp -103.67 141.33 36.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 123.818 0.847 . . . . 73.22 108.776 170.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -150.85 146.78 26.56 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.047 -0.723 . . . . 74.51 109.047 167.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -86.76 -17.04 34.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.583 -0.735 . . . . 71.55 109.649 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.2 129.9 48.71 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 70.25 109.636 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' HA ' HD13 ' A' ' 14' ' ' ILE . 26.6 tp60 -67.62 -42.33 82.51 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 75.42 113.356 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.13 -45.6 87.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.459 0.304 . . . . 52.11 110.471 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.556 HD11 ' HB3' ' A' ' 101' ' ' LYS . 17.8 mm -51.53 -49.76 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 O-C-N 124.112 0.882 . . . . 70.32 111.619 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.542 HG22 ' HB ' ' A' ' 30' ' ' THR . 86.6 mt -54.78 -48.61 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.16 0.984 . . . . 74.21 110.659 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 -33.94 76.73 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.018 0.824 . . . . 70.53 111.645 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 56.1 mm-40 -64.43 -49.46 71.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.006 0.523 . . . . 71.13 111.55 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 HG13 ' A' ' 108' ' ' VAL . 97.4 t -71.58 -37.62 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.683 -0.689 . . . . 74.11 111.281 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.423 ' HB2' HG23 ' A' ' 30' ' ' THR . 30.2 t -69.22 -39.12 78.76 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.134 0.574 . . . . 50.11 111.012 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 16.4 tppt? -66.2 -44.26 84.44 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.57 0.544 . . . . 75.51 110.158 176.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.17 -36.2 83.47 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.542 0.737 . . . . 72.43 111.145 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.85 72.23 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.67 -0.696 . . . . 74.11 110.884 176.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.08 -40.14 71.75 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.613 0.571 . . . . 71.24 110.253 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 46.0 mt-10 -57.45 -48.5 79.0 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.172 0.589 . . . . 75.43 110.411 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -85.03 -16.57 40.28 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.402 -0.817 . . . . 64.43 112.81 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 21.89 76.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.549 0.531 . . . . 73.4 113.068 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -72.72 120.68 18.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.258 0.623 . . . . 72.1 110.445 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.09 93.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 109.09 -0.707 . . . . 74.43 109.09 170.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.4 mt -123.69 122.73 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.544 0.738 . . . . 74.3 109.503 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.564 ' HB3' HG22 ' A' ' 5' ' ' VAL . 7.6 tp-100 -82.62 113.13 20.1 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.78 -0.822 . . . . 75.24 108.78 171.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.542 ' HB ' HG22 ' A' ' 14' ' ' ILE . 41.6 p -105.72 134.5 48.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 122.956 0.502 . . . . 72.25 110.001 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' HB3' HD13 ' A' ' 37' ' ' ILE . 47.1 t -151.57 161.07 43.31 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.397 0.679 . . . . 72.44 110.335 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.99 -32.53 9.19 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.353 1.061 . . . . 63.2 109.262 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.3 104.61 10.04 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 115.61 -0.723 . . . . 74.33 109.96 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -64.76 -28.16 69.39 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.04 -0.982 . . . . 74.01 111.557 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.86 -37.47 79.12 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.797 0.839 . . . . 75.12 110.9 -173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 22.3 tt0 -62.51 -48.15 80.82 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.568 -0.742 . . . . 64.33 109.589 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' A' ' 31' ' ' SER . 51.5 mm -64.14 -36.46 77.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.005 -0.998 . . . . 75.15 111.216 -173.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -58.97 -44.65 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.846 0.858 . . . . 74.24 110.288 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 24.1 t70 -65.52 -33.68 76.49 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.232 -0.895 . . . . 73.55 110.81 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.1 mtp180 -74.4 -28.63 61.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.359 0.664 . . . . 71.14 110.926 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD22 ' HB ' ' A' ' 46' ' ' ILE . 79.7 mt -68.78 -34.83 76.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.516 0.726 . . . . 64.42 110.405 170.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 27.4 mtpp -66.81 -33.13 74.93 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.88 0.872 . . . . 74.54 111.686 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.6 mtt180 -71.06 -15.93 62.56 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.111 0.564 . . . . 74.32 111.033 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.15 22.37 11.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.893 1.277 . . . . 63.24 110.626 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.63 -22.34 47.08 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.555 0.742 . . . . 72.33 110.954 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.3 mt -97.54 125.76 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 123.558 0.743 . . . . 75.52 109.492 -176.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -89.98 -41.59 11.65 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.147 0.499 . . . . 74.14 110.494 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 ptm -145.33 138.85 26.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.51 -0.768 . . . . 74.12 108.996 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 ' HB ' HG21 ' A' ' 46' ' ' ILE . 8.7 tt -138.49 147.34 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.681 0.792 . . . . 75.01 109.649 -171.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG12 ' HB3' ' A' ' 74' ' ' LEU . 59.9 mt -132.86 119.8 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.351 -0.981 . . . . 73.4 108.351 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.479 HG23 HG23 ' A' ' 62' ' ' ILE . 59.2 t -115.28 123.58 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.62 0.768 . . . . 75.33 109.986 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 25.1 tptp -113.57 110.87 20.94 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.92 0.888 . . . . 74.54 109.396 173.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 HG22 HG13 ' A' ' 59' ' ' ILE . 4.8 t -163.3 152.08 14.28 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.114 0.565 . . . . 72.05 110.492 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.6 0.38 57.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.565 1.146 . . . . 71.45 110.446 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -92.22 108.47 19.97 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.188 -0.671 . . . . 72.44 109.188 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -52.33 -38.29 58.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.138 1.375 . . . . 75.55 113.062 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.71 -38.57 64.78 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.539 0.525 . . . . 74.21 110.578 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.4 m -66.87 -42.27 85.91 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.325 0.65 . . . . 75.45 110.08 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 75' ' ' ILE . 75.9 mt -59.62 -53.03 54.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.281 -0.872 . . . . 74.24 109.903 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 t -55.47 -51.74 65.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.319 1.048 . . . . 75.14 112.127 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 38.4 mm-40 -56.46 -48.91 76.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.544 0.738 . . . . 71.1 111.749 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.479 HG23 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -58.27 -50.01 79.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 123.791 0.682 . . . . 71.52 110.442 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 75' ' ' ILE . 65.7 mt -58.42 -43.36 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 123.158 0.286 . . . . 74.43 110.717 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.25 -43.7 83.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.562 0.745 . . . . 75.32 110.759 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.7 mm100 -60.24 -50.52 73.33 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.292 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 71' ' ' ALA . 95.9 t -66.01 -39.63 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.299 1.04 . . . . 74.44 112.246 -171.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 87.2 mt -67.68 -37.41 82.31 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.094 0.473 . . . . 70.33 110.532 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.74 -35.99 60.03 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.504 -0.771 . . . . 72.11 110.469 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -80.62 -16.18 54.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.778 0.831 . . . . 73.4 111.628 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.26 59.62 6.67 Favored Glycine 0 C--N 1.349 1.289 0 O-C-N 123.166 0.291 . . . . 72.34 112.769 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB3' HG12 ' A' ' 66' ' ' VAL . . . -127.32 172.65 10.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.461 0.705 . . . . 75.05 109.519 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' HG2' ' HA2' ' A' ' 116' ' ' GLY . 3.4 mppt? -91.92 142.86 27.09 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 109.342 -0.614 . . . . 75.11 109.342 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.678 HG11 HG21 ' A' ' 93' ' ' VAL . 3.5 p -143.76 132.47 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.225 0.61 . . . . 74.13 110.462 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 ' HB3' HG12 ' A' ' 50' ' ' ILE . 43.7 tp -115.08 124.58 51.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.219 1.008 . . . . 73.4 108.341 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.509 HG13 HD11 ' A' ' 63' ' ' ILE . 37.6 mm -106.46 123.88 61.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 123.712 0.805 . . . . 74.31 109.278 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 78.9 mt -121.16 133.01 55.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.69 1.196 . . . . 73.01 107.972 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -156.14 143.06 18.89 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.835 -0.802 . . . . 71.03 108.835 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.5 p -64.17 -29.51 70.62 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.76 0.824 . . . . 64.35 110.98 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -92.12 109.74 21.1 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.168 -0.924 . . . . 74.24 109.2 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.26 -12.53 59.96 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 71.41 112.218 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -72.49 -38.52 68.14 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 108.683 -0.858 . . . . 73.22 108.683 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.0 mt -66.83 -47.41 82.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.983 -0.747 . . . . 74.44 108.983 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' HB ' ' A' ' 95' ' ' THR . 30.1 mm -52.25 -45.42 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 124.054 0.846 . . . . 75.4 110.659 175.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.62 -37.72 79.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.826 0.45 . . . . 71.43 111.732 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -60.75 -38.25 84.56 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.296 0.569 . . . . 62.32 110.166 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.38 -33.61 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.881 -1.054 . . . . 74.14 111.091 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 71.6 mtp85 -68.27 -49.1 62.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.644 0.378 . . . . 75.32 111.492 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -73.71 -33.19 64.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.877 -0.601 . . . . 71.1 111.808 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -80.4 -37.85 31.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.559 0.344 . . . . 73.41 111.272 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.26 101.77 31.11 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.279 0.632 . . . . 74.25 109.349 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 -39.99 5.33 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.299 1.999 . . . . 75.52 114.013 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -75.51 -15.14 60.43 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.608 0.966 . . . . 74.13 113.608 -168.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.678 HG21 HG11 ' A' ' 73' ' ' VAL . 7.2 p -76.15 141.38 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 122.461 0.305 . . . . 63.44 110.554 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -83.23 136.3 34.45 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.825 -0.806 . . . . 63.15 108.825 169.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 83' ' ' ILE . 10.0 p -139.72 147.46 40.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.831 0.452 . . . . 72.14 110.772 -173.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.72 HH11 ' HB2' ' A' ' 107' ' ' ALA . 55.9 ttt180 -160.91 139.3 9.86 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.621 0.768 . . . . 74.32 108.989 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' HD3' ' HE2' ' A' ' 125' ' ' HIS . 17.9 ttp180 -69.55 131.69 45.07 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.936 -0.764 . . . . 75.21 108.936 169.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.15 104.55 4.3 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.655 -1.239 . . . . 43.33 107.655 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -86.78 -52.25 5.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.898 0.479 . . . . 62.14 110.376 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -92.44 152.1 19.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.498 -0.774 . . . . 75.34 109.802 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.556 ' HB3' HD11 ' A' ' 13' ' ' ILE . 39.3 pttt -60.97 -20.07 61.89 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.587 1.155 . . . . 64.23 112.27 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -54.64 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 72.3 110.598 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.84 -34.19 72.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.019 0.928 . . . . 73.14 111.595 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.554 HG23 HD12 ' A' ' 13' ' ' ILE . 48.2 t -68.09 -60.21 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 O-C-N 123.712 0.632 . . . . 75.22 110.544 -177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.9 pttt -64.47 -31.4 72.6 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.487 0.492 . . . . 72.24 111.209 -174.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.87 -58.02 8.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.842 1.257 . . . . 73.31 111.277 168.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.72 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -63.31 -32.27 73.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.527 0.731 . . . . 62.11 111.399 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 50' ' ' ILE . 60.2 t -58.65 -53.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 O-C-N 124.103 0.877 . . . . 75.32 109.549 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 78.3 tt0 -58.74 -43.66 90.29 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.867 0.729 . . . . 75.41 111.006 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -61.96 -38.73 89.61 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.6 0.76 . . . . 72.45 111.835 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.61 -32.58 73.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.977 0.911 . . . . 74.42 110.254 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 82.5 mt -82.64 -27.21 31.52 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.031 -0.986 . . . . 74.43 112.462 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mttm -62.16 -44.73 95.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.877 0.471 . . . . 75.25 110.613 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -86.45 -21.43 27.07 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.842 -0.617 . . . . 75.41 110.521 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.42 34.73 90.7 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.903 0.752 . . . . 64.35 113.383 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.532 ' HA2' ' HG2' ' A' ' 72' ' ' LYS . . . -171.42 -46.02 0.04 OUTLIER Glycine 0 C--N 1.341 0.851 0 N-CA-C 112.406 -0.278 . . . . 41.55 112.406 -175.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -145.23 173.28 12.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.825 0.345 . . . . 75.44 111.098 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.18 159.18 27.49 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.225 -0.898 . . . . 65.42 109.856 172.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.79 127.16 31.43 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.919 0.888 . . . . 74.33 111.164 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -80.11 57.34 2.66 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 122.194 0.997 . . . . 75.43 110.05 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -149.87 -50.37 0.14 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.399 1.079 . . . . 72.14 108.38 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -92.17 14.8 15.08 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.745 -0.662 . . . . 74.31 111.232 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -64.49 -20.37 66.15 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 122.096 -0.377 . . . . 71.24 112.014 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -56.11 123.98 16.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.285 0.634 . . . . 70.21 110.331 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.457 ' HE2' ' HD3' ' A' ' 97' ' ' ARG . 44.2 t-80 . . . . . 0 C--O 1.252 1.227 0 O-C-N 123.914 0.759 . . . . 75.32 110.238 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.307 0.098 . . . . 75.41 111.05 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.576 ' HA3' ' HB2' ' A' ' 47' ' ' ASP . . . 77.07 -110.39 3.01 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-O 119.599 -0.556 . . . . 73.41 111.983 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -162.16 133.55 5.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.152 0.581 . . . . 74.44 110.764 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.93 122.42 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.436 1.095 . . . . 74.5 108.347 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG12 HD12 ' A' ' 37' ' ' ILE . 58.2 t -128.62 138.11 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.686 0.794 . . . . 73.21 110.235 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.6 t80 -114.31 144.6 42.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.597 0.759 . . . . 75.23 108.993 170.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -136.64 140.51 42.84 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.783 1.233 . . . . 74.42 108.893 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -157.43 160.64 38.56 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.563 0.745 . . . . 74.55 109.613 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.43 -44.43 74.97 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.523 -0.917 . . . . 75.43 108.523 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.88 144.17 27.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 113.592 -1.64 . . . . 72.0 112.174 -163.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.28 -48.0 58.73 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.352 1.061 . . . . 73.33 112.146 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.73 -33.59 70.41 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.284 0.633 . . . . 73.24 111.381 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 101' ' ' LYS . 46.7 mm -61.93 -52.86 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.163 -0.926 . . . . 75.23 109.351 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG22 ' HB ' ' A' ' 30' ' ' THR . 37.2 mt -59.43 -37.01 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.987 1.315 . . . . 74.01 111.732 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.79 -42.47 85.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.215 0.606 . . . . 72.53 110.488 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 60.3 mm-40 -66.37 -43.65 85.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.87 0.868 . . . . 71.0 111.769 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.634 HG11 HG13 ' A' ' 108' ' ' VAL . 39.5 t -63.54 -49.93 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.092 -0.958 . . . . 72.01 111.267 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -70.61 -26.36 63.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.932 0.893 . . . . 72.52 110.939 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -67.56 -53.22 30.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.51 0.724 . . . . 74.41 110.129 174.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -66.62 -38.38 86.83 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.997 0.427 . . . . 75.04 109.889 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.42 97.03 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.02 -0.991 . . . . 73.33 111.159 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.37 -48.77 79.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.706 0.802 . . . . 75.51 110.713 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 13.5 mm-40 -61.76 -41.12 97.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.628 0.771 . . . . 72.22 112.337 -177.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -90.63 -8.04 51.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.179 0.437 . . . . 74.34 112.179 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.86 6.4 72.47 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.803 -0.443 . . . . 55.43 113.938 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.403 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 29.7 m-85 -71.08 121.41 18.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.301 0.64 . . . . 65.33 110.162 175.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.67 119.41 30.88 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.279 0.631 . . . . 73.4 109.357 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.455 HD11 HD13 ' A' ' 112' ' ' LEU . 29.8 mt -129.6 140.02 50.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 C-N-CA 123.955 0.902 . . . . 73.34 108.989 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -92.53 108.93 20.34 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.231 -1.026 . . . . 75.42 108.231 170.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 6' ' ' PHE . 59.7 p -98.13 140.17 32.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.45 0.7 . . . . 73.12 109.893 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -152.1 152.06 31.87 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.299 0.64 . . . . 74.14 110.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -101.79 -24.47 14.05 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.955 0.902 . . . . 73.33 109.828 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -84.76 101.01 11.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.514 -0.55 . . . . 75.11 109.514 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -65.89 -28.71 69.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.452 1.101 . . . . 74.53 112.834 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -69.12 -36.85 77.95 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.276 0.631 . . . . 72.44 110.988 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.51 -42.92 99.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.748 1.219 . . . . 72.12 110.114 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 HD12 HG12 ' A' ' 5' ' ' VAL . 42.4 mm -68.45 -41.34 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 114.886 -1.052 . . . . 65.2 111.108 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.619 HG22 ' HG3' ' A' ' 65' ' ' GLN . 80.6 mt -59.06 -39.44 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.305 1.042 . . . . 75.25 109.854 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 37.0 t70 -63.39 -41.92 98.78 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.138 0.899 . . . . 73.25 110.632 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -69.18 -33.19 72.99 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.21 0.604 . . . . 64.53 111.253 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.78 -29.55 64.59 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.613 0.765 . . . . 74.24 110.411 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -72.77 -26.44 61.54 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.854 0.862 . . . . 72.4 110.817 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 64.9 mtt-85 -85.17 -12.65 52.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.31 0.644 . . . . 74.33 111.645 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.565 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 62.91 30.14 16.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.134 0.974 . . . . 73.11 111.081 -175.358 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -88.26 -2.79 58.81 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.38 0.672 . . . . 72.51 112.809 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.33 125.91 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 122.83 0.452 . . . . 73.13 109.995 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.576 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 24.2 t70 -81.48 -52.27 7.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.068 0.947 . . . . 73.15 110.414 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 ptm -139.38 139.25 37.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.328 -0.851 . . . . 73.41 109.185 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.1 tt -141.2 145.06 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.468 0.707 . . . . 71.24 109.685 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.554 HG23 HG22 ' A' ' 108' ' ' VAL . 62.0 mt -129.78 128.01 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.454 -1.313 . . . . 74.41 107.454 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 62' ' ' ILE . 40.4 t -127.19 115.84 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.283 0.633 . . . . 74.42 110.192 -175.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 27.0 tptp -97.02 105.68 17.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.645 -0.872 . . . . 63.25 108.645 170.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 HG22 HG12 ' A' ' 51' ' ' VAL . 9.0 t -160.49 144.81 14.14 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.454 -0.943 . . . . 74.53 108.454 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -99.06 -10.36 22.69 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.856 0.462 . . . . 74.31 109.897 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.98 101.94 2.3 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.691 0.796 . . . . 72.11 109.249 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -54.54 -35.4 63.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.074 1.35 . . . . 74.34 113.065 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 48.0 mm-40 -61.94 -49.0 77.87 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.471 -0.566 . . . . 64.21 109.471 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 m -65.56 -43.98 88.14 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.443 0.697 . . . . 73.24 111.248 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.53 -56.69 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.888 0.875 . . . . 74.12 110.242 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -59.43 -42.89 92.94 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.365 1.041 . . . . 62.42 111.008 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 32.7 mm-40 -51.63 -58.76 5.45 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.23 0.956 . . . . 73.03 111.024 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.571 HG22 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -57.35 -48.77 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.308 1.005 . . . . 75.4 110.493 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.0 mt -56.79 -49.05 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 123.819 0.699 . . . . 75.14 110.899 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -55.18 -41.67 72.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.143 0.977 . . . . 75.44 110.62 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.619 ' HG3' HG22 ' A' ' 38' ' ' ILE . 9.9 mm100 -74.21 -28.94 61.5 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.348 -0.842 . . . . 74.22 112.044 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.554 HG11 ' HB1' ' A' ' 71' ' ' ALA . 62.0 t -75.18 -35.23 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.859 0.864 . . . . 71.41 110.347 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 80.1 mt -66.68 -43.18 85.13 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.738 -0.838 . . . . 75.11 108.738 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.08 -36.08 82.84 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.936 -1.029 . . . . 74.12 110.852 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.565 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 22.5 t -76.6 -25.0 53.44 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.832 -0.622 . . . . 72.32 111.588 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 51.88 48.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.399 -0.68 . . . . 72.11 111.399 -170.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -118.08 173.39 6.81 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.052 0.941 . . . . 72.44 110.792 -174.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 141.55 28.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.927 0.891 . . . . 75.24 108.6 173.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.713 HG12 HG22 ' A' ' 93' ' ' VAL . 6.8 p -143.31 137.0 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.999 0.52 . . . . 71.12 111.23 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 34.2 tp -117.46 115.68 25.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.363 1.065 . . . . 72.35 108.473 171.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.466 ' HB ' HG23 ' A' ' 95' ' ' THR . 37.4 mm -97.2 121.86 48.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 123.654 0.781 . . . . 75.02 109.506 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.3 mt -116.33 119.8 36.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.789 1.236 . . . . 73.14 107.951 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -136.44 143.23 43.78 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.679 -1.23 . . . . 64.54 107.679 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -66.42 -33.74 76.38 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.558 0.536 . . . . 73.02 111.378 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -89.55 127.64 35.91 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.628 0.771 . . . . 63.35 111.325 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.62 -32.5 73.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.808 1.243 . . . . 73.51 112.731 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -76.26 -30.34 57.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.318 0.647 . . . . 72.12 110.167 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.6 mt -71.56 -46.88 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 109.376 -0.601 . . . . 75.21 109.376 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.678 HG21 ' HE ' ' A' ' 87' ' ' ARG . 24.9 mm -55.18 -36.68 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.1 0.56 . . . . 65.42 110.577 171.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.56 -45.74 85.79 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.657 1.183 . . . . 72.35 111.902 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 m -64.74 -38.0 89.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.966 0.506 . . . . 63.11 110.791 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 82' ' ' ILE . 40.7 mm -68.52 -34.49 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.521 -0.763 . . . . 63.23 110.618 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.678 ' HE ' HG21 ' A' ' 83' ' ' ILE . 35.2 mtm180 -69.17 -42.33 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.547 0.739 . . . . 74.04 112.446 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.63 -29.51 36.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.437 0.295 . . . . 73.53 111.69 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.47 -40.5 17.64 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.92 0.39 . . . . 63.21 110.574 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -119.55 101.16 48.96 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 108.789 -0.819 . . . . 75.45 108.789 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.92 -34.53 10.57 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.026 1.817 . . . . 72.3 113.168 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -84.38 -10.51 57.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.414 0.894 . . . . 75.2 113.414 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.713 HG22 HG12 ' A' ' 73' ' ' VAL . 7.5 p -74.96 129.94 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.767 0.427 . . . . 75.1 110.353 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 9.1 mm-40 -68.29 115.58 7.9 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.315 -0.994 . . . . 74.5 108.315 167.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.543 ' HB ' HG23 ' A' ' 83' ' ' ILE . 12.5 p -124.35 146.8 48.61 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.546 0.739 . . . . 74.33 109.811 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -158.29 129.52 6.5 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.104 -0.953 . . . . 75.25 108.685 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.482 ' NH1' ' HG3' ' A' ' 99' ' ' GLN . 2.0 ttp85 -67.42 128.88 38.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.978 -0.749 . . . . 75.0 108.978 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.62 114.72 6.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.011 -1.107 . . . . 72.44 108.011 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG3' ' NH1' ' A' ' 97' ' ' ARG . 30.1 mt-30 -97.43 -56.27 2.58 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.272 0.358 . . . . 72.41 110.154 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.7 152.44 21.34 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.601 -0.518 . . . . 71.4 109.601 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HB3' HD12 ' A' ' 13' ' ' ILE . 54.3 pttt -61.28 -21.14 63.66 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.359 1.064 . . . . 74.11 112.75 -177.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.516 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 28.9 mm-40 -64.47 -50.65 66.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.285 0.634 . . . . 74.4 110.59 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.78 -29.86 70.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.543 -1.208 . . . . 75.0 111.327 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.504 HG11 HG22 ' A' ' 13' ' ' ILE . 61.9 t -69.81 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 123.374 0.67 . . . . 73.14 110.67 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.565 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.5 pttt -62.13 -33.54 74.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.503 0.502 . . . . 74.13 111.164 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.79 -51.08 71.26 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.786 0.834 . . . . 74.55 111.002 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.72 83.83 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.114 0.884 . . . . 75.23 111.256 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.634 HG13 HG11 ' A' ' 17' ' ' VAL . 75.7 t -61.92 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 73.11 109.751 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 30.0 tt0 -49.85 -41.98 46.4 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.599 1.16 . . . . 74.3 111.357 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.1 -47.8 83.94 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.554 1.542 . . . . 72.1 110.874 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -68.2 -33.14 73.88 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.796 1.238 . . . . 72.42 111.031 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 77.2 mt -71.03 -34.39 71.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.296 1.038 . . . . 74.33 111.861 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -55.93 -36.86 68.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.563 0.745 . . . . 73.33 112.928 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -98.68 -14.22 19.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.099 0.56 . . . . 74.44 111.236 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.33 77.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.472 0.483 . . . . 54.02 112.87 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.56 16.68 0.02 OUTLIER Glycine 0 C--N 1.348 1.229 0 N-CA-C 115.334 0.894 . . . . 63.13 115.334 -178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -166.79 151.39 7.39 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 117.886 0.843 . . . . 75.51 110.655 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.98 173.12 6.99 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.422 1.089 . . . . 75.24 109.482 173.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.51 80.02 1.06 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 122.974 1.369 . . . . 74.04 108.005 160.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -145.48 3.28 0.99 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.574 -2.103 . . . . 71.51 108.731 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -64.14 89.11 0.06 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.752 1.221 . . . . 72.31 111.428 -169.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -147.77 170.86 16.67 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.401 1.08 . . . . 64.04 108.927 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -73.7 79.41 1.53 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.247 -1.39 . . . . 75.2 107.247 162.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -65.85 110.19 2.76 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.123 -1.398 . . . . 74.23 110.607 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 32.5 m80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 108.386 -0.968 . . . . 73.03 108.386 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.116 -0.698 . . . . 74.24 109.116 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.69 68.33 0.12 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 110.277 -1.129 . . . . 71.15 110.277 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -73.28 91.94 1.74 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.019 0.527 . . . . 74.15 109.905 177.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.614 HG23 ' SD ' ' A' ' 48' ' ' MET . 15.4 t -90.45 116.84 32.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.057 -0.974 . . . . 75.23 108.784 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -121.56 113.07 37.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -88.08 135.5 33.39 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.421 -0.585 . . . . 74.43 109.421 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 37' ' ' ILE . 43.7 tp -122.47 136.33 54.87 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.218 1.407 . . . . 74.11 108.132 174.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.8 t -155.49 144.3 20.57 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.934 -0.765 . . . . 74.41 108.934 167.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 -14.83 57.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.114 0.566 . . . . 62.04 110.724 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.06 142.69 37.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.6 0.76 . . . . 74.55 110.95 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.68 -52.0 35.77 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.589 1.156 . . . . 72.31 112.771 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.29 -34.16 68.39 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.636 0.774 . . . . 64.45 111.509 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 104' ' ' VAL . 43.3 mm -63.18 -51.99 64.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 115.175 -0.921 . . . . 70.34 109.763 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -41.16 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.444 1.098 . . . . 75.11 111.024 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.76 -38.54 86.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.654 0.782 . . . . 63.33 112.116 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 63.1 mm-40 -73.65 -38.02 65.12 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.353 0.661 . . . . 74.41 112.044 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.31 -36.94 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.203 0.601 . . . . 74.13 110.58 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -68.42 -35.83 78.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.682 0.793 . . . . 61.55 110.383 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -68.09 -49.49 60.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.259 0.623 . . . . 72.15 109.773 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -38.45 76.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.944 0.898 . . . . 75.32 111.211 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -57.55 12.5 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.115 -0.948 . . . . 63.3 109.971 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.12 -42.81 81.58 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 124.228 0.955 . . . . 74.4 111.771 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -58.01 -49.53 76.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 73.31 111.669 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 38.0 mm-40 -80.97 -7.39 59.52 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.075 0.398 . . . . 74.0 112.075 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.25 43.96 7.76 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 122.808 0.242 . . . . 75.23 113.062 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.47 129.51 56.53 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.099 0.96 . . . . 70.25 109.572 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.15 74.61 1.78 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.665 -0.865 . . . . 74.41 108.665 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.42 134.45 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.33 -0.85 . . . . 73.04 109.81 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HG2' HH22 ' A' ' 40' ' ' ARG . 20.8 tp60 -79.1 109.78 13.74 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 108.666 -0.864 . . . . 74.34 108.666 170.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.6 p -96.8 144.02 27.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.518 . . . . 75.24 109.918 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -148.3 149.38 31.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.054 0.941 . . . . 73.41 109.644 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 8' ' ' SER . 25.5 t-20 -103.41 -34.08 8.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.903 0.881 . . . . 72.15 110.75 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -83.97 112.72 20.43 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.187 0.595 . . . . 64.53 111.176 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 10.4 ptpp? -68.51 -34.32 75.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.146 0.979 . . . . 75.12 112.176 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.09 -38.21 90.0 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.381 0.672 . . . . 75.25 111.374 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.9 tt0 -59.19 -47.63 84.6 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.413 -0.812 . . . . 64.33 109.404 174.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.503 HD13 ' HD3' ' A' ' 40' ' ' ARG . 37.0 mm -64.75 -41.6 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 114.838 -1.074 . . . . 73.43 111.987 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.0 mt -55.37 -39.75 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.507 0.723 . . . . 71.24 109.994 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.31 -32.91 63.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.524 -1.216 . . . . 74.14 111.692 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.536 HH22 ' HG2' ' A' ' 29' ' ' GLN . 47.5 mtp180 -73.11 -30.74 63.85 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.089 0.555 . . . . 74.34 110.396 177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -72.17 -31.26 65.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.223 -0.898 . . . . 75.14 110.575 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.12 -32.63 70.01 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 120.956 0.408 . . . . 74.53 111.066 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -84.16 -6.01 59.34 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.01 -0.995 . . . . 72.11 111.692 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 60.91 27.04 16.91 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.76 1.224 . . . . 75.25 110.514 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -79.94 -16.55 55.04 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.156 0.983 . . . . 75.12 112.002 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.433 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.8 mt -108.39 132.83 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.609 0.764 . . . . 70.45 109.841 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -88.8 -41.49 12.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.713 0.768 . . . . 75.01 110.208 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.614 ' SD ' HG23 ' A' ' 4' ' ' VAL . 8.0 ptp -145.62 136.25 24.28 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.731 -1.122 . . . . 64.44 108.825 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' HB ' HG21 ' A' ' 46' ' ' ILE . 3.8 tt -133.04 138.68 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 123.857 0.863 . . . . 73.31 109.017 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.494 HG22 HG21 ' A' ' 108' ' ' VAL . 57.8 mt -126.36 108.42 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 108.236 -1.024 . . . . 75.1 108.236 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.581 HG21 HG21 ' A' ' 62' ' ' ILE . 60.7 t -101.01 135.29 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.662 0.785 . . . . 75.35 110.147 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 13' ' ' ILE . 46.3 tptt -124.79 106.01 9.72 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.79 -0.818 . . . . 64.35 108.79 172.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -170.02 162.12 8.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.339 1.456 . . . . 71.41 107.599 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.57 -8.3 21.11 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.06 0.544 . . . . 73.52 111.185 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -70.12 93.17 0.79 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 109.542 -0.54 . . . . 72.12 109.542 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.512 ' HG2' HG22 ' A' ' 82' ' ' ILE . 54.0 mtpt -57.08 -34.12 67.98 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.098 1.359 . . . . 73.23 112.865 -170.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.07 -44.95 75.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.925 -1.034 . . . . 74.42 110.943 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.417 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 93.3 p -73.06 -43.08 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.035 -0.529 . . . . 71.25 110.633 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.484 HG22 HD12 ' A' ' 75' ' ' ILE . 87.7 mt -50.05 -49.27 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.013 0.925 . . . . 71.24 110.349 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -50.17 -46.63 54.39 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.43 1.081 . . . . 72.41 111.281 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 30.0 mm-40 -66.63 -44.24 82.54 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.292 0.637 . . . . 72.03 111.499 -176.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.581 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.69 -55.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 O-C-N 123.66 0.6 . . . . 74.45 109.855 174.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.61 -42.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 124.12 0.887 . . . . 74.24 111.138 -175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -57.15 -43.93 82.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.495 0.718 . . . . 75.04 111.039 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.3 mm100 -65.46 -41.62 93.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.701 0.626 . . . . 72.42 110.79 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.547 HG13 ' HB ' ' A' ' 73' ' ' VAL . 58.0 t -67.62 -39.38 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 72.05 111.343 -177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.343 0.657 . . . . 73.42 109.647 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.98 -41.45 96.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.885 -1.052 . . . . 71.12 110.407 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -75.83 -29.14 58.52 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 75.35 111.51 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.18 33.8 43.54 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.421 -0.354 . . . . 74.14 112.451 -173.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -99.9 172.16 7.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.706 0.802 . . . . 74.32 110.57 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.6 mppt? -89.47 144.31 26.14 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.921 -0.77 . . . . 73.41 108.921 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.674 HG11 HG23 ' A' ' 93' ' ' VAL . 2.6 p -143.22 129.04 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.316 0.646 . . . . 75.45 110.831 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD21 ' HB3' ' A' ' 107' ' ' ALA . 45.3 tp -113.08 120.15 40.33 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.23 -1.026 . . . . 55.44 108.23 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.484 HD12 HG22 ' A' ' 59' ' ' ILE . 36.4 mm -99.64 121.34 50.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.16 -0.681 . . . . 74.32 109.16 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.97 119.48 36.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.318 1.047 . . . . 75.21 108.338 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -140.01 143.97 36.7 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.102 -1.073 . . . . 71.44 108.102 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -69.2 -35.16 75.93 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.764 0.425 . . . . 65.15 110.951 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.85 125.14 34.79 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.356 -0.838 . . . . 72.31 110.376 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.19 -21.38 62.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.159 0.984 . . . . 74.53 112.875 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -80.95 -30.24 35.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.645 0.378 . . . . 75.43 110.051 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.512 HG22 ' HG2' ' A' ' 56' ' ' LYS . 59.9 mt -62.27 -51.52 71.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.625 -0.88 . . . . 71.44 108.625 170.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.572 HG21 ' HB ' ' A' ' 95' ' ' THR . 34.7 mm -51.5 -45.82 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 124.314 1.009 . . . . 74.31 110.796 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.35 -46.83 88.53 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.264 0.625 . . . . 72.2 111.055 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.4 m -58.53 -39.53 80.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.2 0.6 . . . . 53.04 110.985 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG21 HG12 ' A' ' 93' ' ' VAL . 35.7 mm -68.73 -35.15 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.726 0.811 . . . . 74.43 111.307 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 59.1 mtm180 -69.7 -43.64 72.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.7 0.4 . . . . 74.43 111.511 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -75.67 -34.35 60.46 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 116.536 -0.302 . . . . 74.45 111.363 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.36 -50.84 50.33 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.069 0.548 . . . . 74.1 110.525 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' O ' HG11 ' A' ' 93' ' ' VAL . 50.6 m-85 -124.11 91.64 49.32 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 123.614 0.765 . . . . 75.42 109.15 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.75 -10.44 27.77 Favored 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 121.869 1.713 . . . . 75.21 113.764 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -85.19 -13.97 48.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.986 0.735 . . . . 74.12 112.986 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.674 HG23 HG11 ' A' ' 73' ' ' VAL . 7.3 p -77.2 150.68 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.185 0.448 . . . . 74.55 110.363 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.49 131.11 37.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.369 -1.345 . . . . 74.5 107.369 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.572 ' HB ' HG21 ' A' ' 83' ' ' ILE . 28.2 p -129.56 151.32 50.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.239 0.616 . . . . 74.34 110.443 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 140.27 11.52 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.8 -0.815 . . . . 75.51 108.8 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.13 124.44 29.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.161 -1.052 . . . . 74.22 108.161 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.67 104.89 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.684 -1.228 . . . . 74.24 107.684 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -78.46 -61.46 2.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.047 0.451 . . . . 74.31 109.896 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.59 170.06 8.26 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.533 -0.758 . . . . 75.0 109.531 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -52.4 -27.2 14.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.369 1.867 . . . . 75.25 113.941 -174.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -78.86 -37.07 41.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.532 0.733 . . . . 72.53 111.844 -173.217 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.46 -29.71 69.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.822 0.449 . . . . 75.31 111.576 170.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.477 HG21 HD12 ' A' ' 13' ' ' ILE . 39.8 t -68.54 -53.59 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 N-CA-C 109.78 -0.452 . . . . 73.34 109.78 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.1 pttt -65.36 -34.97 79.57 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.422 0.452 . . . . 74.04 111.116 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -52.88 -54.27 36.97 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.184 0.994 . . . . 72.53 111.378 168.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB3' HD21 ' A' ' 74' ' ' LEU . . . -62.38 -36.95 83.89 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.257 -0.883 . . . . 71.34 112.062 -175.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 50' ' ' ILE . 78.1 t -64.06 -52.0 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 O-C-N 124.144 0.903 . . . . 72.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.54 -48.41 72.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.076 0.95 . . . . 73.03 111.387 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.73 -44.41 90.46 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.707 1.203 . . . . 72.33 110.861 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.422 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 39.9 t80 -65.05 -41.83 94.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.222 1.009 . . . . 74.01 111.262 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 19.3 mt -75.43 -39.95 58.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.819 -0.628 . . . . 71.13 111.175 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.06 -25.03 62.46 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 74.32 111.407 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -90.21 -9.4 48.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.69 0.626 . . . . 72.43 112.69 172.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.09 21.44 65.92 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.211 0.319 . . . . 62.14 113.583 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 151.32 -116.91 0.79 Allowed Glycine 0 C--N 1.342 0.903 0 N-CA-C 110.784 -0.926 . . . . 75.54 110.784 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 120' ' ' HIS . 17.3 m -56.19 120.86 8.23 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.433 1.093 . . . . 73.5 112.595 -173.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.53 -50.41 70.07 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.08 1.352 . . . . 72.33 112.743 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.92 17.38 17.97 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.981 1.312 . . . . 74.42 109.375 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 117' ' ' SER . 3.2 t60 58.73 53.17 6.09 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.456 1.503 . . . . 74.21 111.024 -171.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -48.55 126.37 11.5 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 107.832 -1.173 . . . . 74.03 107.832 160.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -49.38 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 O-C-N 125.005 1.441 . . . . 74.05 113.441 -160.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -125.75 133.67 52.0 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 106.073 -1.825 . . . . 72.41 106.073 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 149.72 30.43 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 124.051 0.845 . . . . 75.25 111.095 -174.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 CA--C 1.558 1.253 0 O-C-N 123.826 0.704 . . . . 71.13 109.476 175.54 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.302 -0.258 . . . . 75.54 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.44 33.27 84.26 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 123.359 0.412 . . . . 75.21 113.852 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -81.21 105.85 12.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.05 0.54 . . . . 72.1 110.617 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -96.47 123.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 N-CA-C 108.929 -0.767 . . . . 63.04 108.929 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 29' ' ' GLN . 69.7 t -123.5 118.37 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.843 -0.799 . . . . 72.15 108.843 174.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' HB3' HG21 ' A' ' 30' ' ' THR . 74.2 t80 -96.36 120.92 37.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.21 0.604 . . . . 75.4 109.424 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD13 HG13 ' A' ' 37' ' ' ILE . 55.0 tp -110.05 135.2 51.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.373 1.069 . . . . 74.35 108.929 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.552 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 58.5 m -154.33 146.87 24.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.561 0.744 . . . . 73.42 110.615 173.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.08 14.41 14.15 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.673 0.789 . . . . 62.41 111.043 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -142.81 130.09 20.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.413 0.685 . . . . 71.34 109.83 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -68.25 -43.1 78.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.588 0.755 . . . . 65.22 112.581 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -56.08 -36.69 68.38 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.461 0.704 . . . . 70.15 111.207 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.589 HD11 HG22 ' A' ' 104' ' ' VAL . 47.0 mm -67.7 -51.39 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 115.423 -0.808 . . . . 73.4 109.941 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.28 -43.07 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.452 1.101 . . . . 75.43 111.187 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.03 -41.93 70.19 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.419 0.688 . . . . 72.12 111.751 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 30.4 mm-40 -63.32 -43.67 97.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.322 0.649 . . . . 65.3 111.596 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 86.2 t -70.48 -40.74 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.775 -0.648 . . . . 74.3 110.822 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -58.32 -37.96 76.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.887 . . . . 73.23 110.482 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.2 -54.4 21.42 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 115.129 -0.941 . . . . 72.32 110.813 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -62.92 -40.38 97.42 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.564 0.54 . . . . 74.15 110.783 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.39 93.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.96 -1.018 . . . . 75.12 110.933 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.12 -48.01 83.51 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.779 0.675 . . . . 74.33 110.779 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.14 -43.67 74.38 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.915 0.886 . . . . 64.12 111.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -82.2 -17.24 46.87 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 116.095 -0.502 . . . . 74.35 111.863 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.88 15.53 65.15 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-O 119.938 -0.368 . . . . 73.35 113.241 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.41 110.18 5.18 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.202 0.601 . . . . 74.13 110.611 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.8 92.91 0.71 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.528 0.731 . . . . 72.15 109.881 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -117.29 130.75 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.661 -0.496 . . . . 72.3 109.661 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HB3' HG21 ' A' ' 5' ' ' VAL . 22.1 tp60 -88.07 113.35 23.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.662 -0.866 . . . . 72.13 108.662 170.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 HG21 ' HB3' ' A' ' 6' ' ' PHE . 41.1 p -97.99 148.91 23.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 110.049 -0.352 . . . . 74.32 110.049 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.7 t -151.87 151.18 30.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.888 0.875 . . . . 72.14 110.384 -176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.552 ' HA ' ' O ' ' A' ' 8' ' ' SER . 26.8 t-20 -96.75 -49.39 5.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.004 0.922 . . . . 72.31 109.671 168.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.62 105.41 1.87 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.374 -1.285 . . . . 75.03 111.126 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 17.5 ptpt -71.94 -28.28 63.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.168 0.987 . . . . 74.12 113.461 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.41 -36.03 80.46 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.133 0.271 . . . . 74.41 111.123 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.9 tt0 -63.05 -45.33 92.72 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 109.794 -0.447 . . . . 65.51 109.794 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.531 HG13 HD13 ' A' ' 7' ' ' LEU . 51.9 mm -66.51 -38.04 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.129 -0.941 . . . . 61.52 111.483 -172.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.55 HG22 ' HG3' ' A' ' 65' ' ' GLN . 88.3 mt -58.69 -39.67 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.918 0.887 . . . . 75.13 110.208 172.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 28.5 t70 -71.67 -30.66 65.96 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.356 -0.838 . . . . 72.42 110.956 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.7 mtp180 -70.82 -35.02 72.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.764 0.426 . . . . 74.11 110.075 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 HD23 HG22 ' A' ' 66' ' ' VAL . 61.4 mt -67.1 -34.98 78.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.19 0.596 . . . . 70.11 110.596 174.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -61.49 -36.49 80.63 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.774 0.83 . . . . 73.3 111.149 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.7 mtt-85 -83.22 -5.59 59.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.65 0.78 . . . . 73.42 112.562 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 22.02 12.82 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.212 1.005 . . . . 75.24 110.545 -172.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.65 -20.22 63.59 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.565 1.546 . . . . 73.14 112.057 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.501 HG22 ' HB ' ' A' ' 49' ' ' ILE . 37.9 mt -113.3 131.61 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 123.85 0.86 . . . . 74.05 109.645 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -86.66 -39.82 15.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.675 0.79 . . . . 75.34 110.662 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.555 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 16.5 ptm -151.28 132.66 14.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.268 -0.878 . . . . 73.23 109.449 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.501 ' HB ' HG22 ' A' ' 46' ' ' ILE . 6.3 tt -131.74 141.09 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.999 0.92 . . . . 71.04 109.311 -172.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 108' ' ' VAL . 67.4 mt -128.51 115.05 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 107.908 -1.145 . . . . 75.44 107.908 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 62' ' ' ILE . 40.7 t -112.26 116.39 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.575 0.75 . . . . 64.1 110.543 -173.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 29.3 tptp -102.35 105.79 16.45 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.481 -0.933 . . . . 74.4 108.481 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 51' ' ' VAL . 13.7 t -163.41 161.32 24.3 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 74.54 108.994 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -119.61 13.27 12.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.788 0.835 . . . . 74.31 110.057 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 59' ' ' ILE . 18.1 t70 -95.69 101.49 13.19 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.928 -0.768 . . . . 75.0 108.928 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -54.05 -43.86 70.58 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.278 1.031 . . . . 75.34 112.793 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 29.9 mm-40 -60.96 -43.91 98.07 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.157 0.91 . . . . 74.15 111.231 -172.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 79.5 p -74.31 -41.92 60.35 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.638 0.586 . . . . 72.32 110.992 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 75' ' ' ILE . 83.9 mt -49.56 -50.82 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.79 0.836 . . . . 73.41 110.212 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 t -54.66 -44.62 73.43 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 124.728 1.267 . . . . 71.44 110.868 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 22.2 mm-40 -61.38 -47.31 86.43 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 123.669 0.606 . . . . 72.44 111.135 -178.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 51' ' ' VAL . 1.8 mp -51.46 -55.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 124.073 0.858 . . . . 73.23 109.53 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 53.2 mt -58.46 -42.79 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 124.111 0.882 . . . . 74.03 111.11 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -56.25 -42.92 78.15 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.072 0.949 . . . . 73.44 111.022 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.55 ' HG3' HG22 ' A' ' 38' ' ' ILE . 9.7 mm100 -80.12 -27.49 39.14 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.267 -0.879 . . . . 70.31 111.596 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG12 ' HB ' ' A' ' 73' ' ' VAL . 89.1 t -72.65 -44.58 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.073 0.549 . . . . 72.41 110.227 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 94.5 mt -60.35 -42.58 96.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.565 0.746 . . . . 71.45 109.906 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.53 -31.41 68.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.31 -0.859 . . . . 71.42 110.574 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -75.08 -25.34 58.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.571 0.749 . . . . 74.04 110.817 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 34.06 64.84 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.239 -0.437 . . . . 62.55 112.579 -173.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' A' ' 66' ' ' VAL . . . -101.2 -179.01 3.91 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.144 0.978 . . . . 63.34 110.716 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.555 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 4.0 mppt? -95.14 146.64 24.16 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.189 0.596 . . . . 70.21 109.532 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.715 HG12 HG22 ' A' ' 93' ' ' VAL . 3.5 p -143.84 132.69 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.048 0.939 . . . . 75.42 110.895 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.8 tp -119.39 113.93 21.56 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.33 1.052 . . . . 71.32 108.558 173.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 59' ' ' ILE . 42.9 mm -92.84 123.17 44.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 123.705 0.802 . . . . 72.35 109.651 176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.31 120.46 37.71 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.915 1.286 . . . . 74.54 107.735 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -137.39 141.57 41.71 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.377 -0.971 . . . . 71.41 108.377 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -33.75 74.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.184 0.516 . . . . 73.31 111.176 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.69 124.04 33.14 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.337 -0.847 . . . . 75.35 110.847 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.463 ' HB2' ' HD2' ' A' ' 97' ' ' ARG . 29.7 tt0 -73.32 -24.77 60.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.973 -1.012 . . . . 70.14 112.367 -176.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -72.45 -32.5 66.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.321 -0.622 . . . . 74.0 109.321 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.41 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.5 mt -68.46 -47.97 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.569 0.748 . . . . 74.15 109.374 174.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.478 HG22 ' HB ' ' A' ' 95' ' ' THR . 28.1 mm -50.97 -45.86 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 O-C-N 124.023 0.827 . . . . 73.44 110.368 173.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -62.65 -45.66 91.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.741 0.816 . . . . 65.31 111.641 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.2 m -57.29 -42.05 80.98 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.967 0.507 . . . . 54.33 110.693 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 82' ' ' ILE . 38.9 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-N 114.999 -1.001 . . . . 75.45 110.902 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 47.7 mtm180 -72.01 -48.09 47.19 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.65 0.38 . . . . 73.31 111.804 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.1 -31.18 67.47 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.617 -0.265 . . . . 74.15 111.616 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -73.57 -53.41 10.59 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.729 -0.471 . . . . 73.44 109.729 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -120.02 104.11 44.42 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.336 0.654 . . . . 75.21 110.612 -172.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -71.33 -30.32 15.76 Favored 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.275 1.984 . . . . 72.14 113.285 169.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 5.32 11.09 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 113.93 1.085 . . . . 75.13 113.93 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.715 HG22 HG12 ' A' ' 73' ' ' VAL . 11.6 p -104.54 143.37 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.276 0.489 . . . . 75.03 110.845 174.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.56 129.75 34.79 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.553 -0.906 . . . . 72.42 108.553 166.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.478 ' HB ' HG22 ' A' ' 83' ' ' ILE . 20.0 p -128.63 145.59 51.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.576 0.751 . . . . 72.23 109.406 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.57 128.78 8.22 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.338 -0.986 . . . . 73.0 108.338 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 70.7 ttt180 -67.29 126.52 29.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.11 -0.7 . . . . 74.14 109.11 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.542 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -137.52 108.28 6.64 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 107.868 -1.16 . . . . 74.23 107.868 -177.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.61 -40.57 6.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.959 0.904 . . . . 74.34 109.437 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m-20 -90.5 136.61 32.95 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.467 -1.242 . . . . 74.54 109.516 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -63.0 -27.55 69.5 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.573 0.749 . . . . 74.53 111.474 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.8 pt-20 -67.05 -40.89 87.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.619 0.768 . . . . 75.2 110.791 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.14 -26.11 64.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.173 0.589 . . . . 73.13 112.236 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.589 HG22 HD11 ' A' ' 13' ' ' ILE . 60.1 t -72.35 -54.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 110.216 -0.29 . . . . 73.32 110.216 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.7 pttt -65.02 -30.14 71.1 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.285 0.366 . . . . 72.53 111.049 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 36.7 t70 -58.29 -57.33 13.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.918 0.762 . . . . 64.51 110.231 166.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.54 68.11 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.858 0.863 . . . . 75.25 112.468 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.467 ' HA ' HD13 ' A' ' 50' ' ' ILE . 92.8 t -64.86 -54.41 30.16 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 O-C-N 124.338 1.024 . . . . 55.44 109.634 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.89 -35.48 76.76 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.876 0.735 . . . . 62.52 111.451 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 5.6 mm-40 -67.99 -43.75 78.2 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.497 0.719 . . . . 75.2 110.12 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.37 -31.11 72.19 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.794 0.838 . . . . 75.42 110.3 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -78.21 -50.12 12.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.05 0.94 . . . . 72.41 111.628 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -65.99 -35.07 79.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.144 0.577 . . . . 71.21 112.166 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 117' ' ' SER . 17.8 mm-40 -82.09 2.41 31.4 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 111.66 0.245 . . . . 60.24 111.66 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.87 1.76 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 123.514 0.509 . . . . 53.22 113.321 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.58 38.08 78.3 Favored Glycine 0 C--N 1.347 1.146 0 O-C-N 123.516 0.186 . . . . 75.03 113.004 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 75.5 p -167.32 150.29 6.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.715 0.806 . . . . 75.0 109.855 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 mt -81.15 -70.01 0.56 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.161 -0.681 . . . . 74.43 109.161 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 53.96 27.26 7.16 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.255 1.022 . . . . 74.3 112.363 -168.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.71 55.33 2.15 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.917 0.887 . . . . 75.53 109.738 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 m80 53.21 68.88 0.77 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 113.993 -1.458 . . . . 64.42 111.107 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -67.03 93.75 0.3 Allowed 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 122.409 1.1 . . . . 71.43 108.964 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -95.24 165.68 12.28 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 114.756 -1.111 . . . . 73.4 112.161 -166.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -82.84 143.69 30.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.317 -1.31 . . . . 74.24 108.406 171.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--O 1.244 0.795 0 N-CA-C 109.028 -0.731 . . . . 71.44 109.028 174.054 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.119 -0.697 . . . . 72.52 109.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.579 ' HA3' ' HB2' ' A' ' 47' ' ' ASP . . . 67.37 -95.82 0.32 Allowed Glycine 0 C--N 1.35 1.345 0 N-CA-C 110.561 -1.015 . . . . 70.04 110.561 -171.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 16.9 tppt? 173.51 131.14 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.409 1.484 . . . . 74.52 109.292 170.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.451 HG11 HD22 ' A' ' 112' ' ' LEU . 14.5 t -99.85 125.86 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 107.6 -1.259 . . . . 72.4 107.6 167.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 29' ' ' GLN . 74.6 t -120.74 121.99 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 109.251 -0.648 . . . . 73.23 109.251 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.7 t80 -94.9 106.43 18.42 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.57 -0.9 . . . . 74.2 108.57 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 59.5 tp -102.65 129.52 49.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.061 0.944 . . . . 75.53 108.901 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 66.9 m -148.68 157.19 43.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.665 . . . . 70.12 109.986 174.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 26.2 t0 -105.81 4.6 29.99 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.688 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.04 125.68 51.7 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.586 -0.697 . . . . 64.01 109.138 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.42 HE21 ' HG3' ' A' ' 15' ' ' GLU . 25.3 tp60 -65.02 -38.84 92.25 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.479 1.112 . . . . 74.03 112.94 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.75 -50.53 70.69 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.414 -0.587 . . . . 75.24 109.414 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.572 HG23 ' HG2' ' A' ' 52' ' ' LYS . 50.3 mm -49.56 -51.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 114.32 -1.309 . . . . 75.53 111.658 172.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 30' ' ' THR . 85.4 mt -56.36 -48.69 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.71 0.804 . . . . 73.35 110.947 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HG3' HE21 ' A' ' 11' ' ' GLN . 48.0 mt-10 -71.51 -34.77 70.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.346 0.658 . . . . 74.42 112.57 -174.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 101' ' ' LYS . 24.5 mm-40 -64.09 -47.02 81.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.439 0.696 . . . . 75.42 111.08 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.486 HG23 ' HB3' ' A' ' 105' ' ' LYS . 61.5 t -77.22 -32.28 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 115.644 -0.707 . . . . 75.5 111.279 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -64.3 -46.02 85.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.718 0.807 . . . . 64.14 110.293 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.0 tppt? -62.86 -45.44 92.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.88 -1.055 . . . . 74.03 110.125 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' A' ' 109' ' ' GLU . 56.1 tttp -57.99 -46.1 85.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.278 0.631 . . . . 74.15 111.846 176.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.92 72.54 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.588 0.755 . . . . 61.12 111.275 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.78 -47.37 53.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.53 0.732 . . . . 75.45 110.382 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 70.8 mm-40 -61.3 -45.89 92.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.518 0.727 . . . . 74.15 111.753 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -76.39 -21.48 55.99 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.085 -0.507 . . . . 74.02 111.795 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.57 67.84 Favored Glycine 0 C--N 1.343 0.931 0 O-C-N 123.522 0.514 . . . . 74.51 113.072 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 121.4 14.87 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.426 -0.583 . . . . 70.01 109.426 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.21 92.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.095 0.558 . . . . 64.02 109.659 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.8 mt -134.02 127.1 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.794 0.838 . . . . 74.02 110.271 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HB3' HG21 ' A' ' 5' ' ' VAL . 24.1 tp60 -89.71 113.65 25.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.789 -0.819 . . . . 75.0 108.789 170.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.513 HG22 ' HB3' ' A' ' 6' ' ' PHE . 38.8 p -97.14 130.88 44.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 73.14 109.285 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 t -152.13 160.06 43.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.883 0.473 . . . . 62.53 111.194 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -105.47 -46.89 4.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.209 1.004 . . . . 73.33 111.178 -178.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.11 109.62 8.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.598 0.759 . . . . 72.42 110.327 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HB2' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -70.32 -21.63 62.9 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.825 0.676 . . . . 73.13 112.825 -178.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.8 -37.52 73.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.189 0.596 . . . . 74.32 111.978 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.62 -38.92 70.73 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.208 1.003 . . . . 75.43 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.07 -36.17 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 115.246 -0.888 . . . . 75.33 110.669 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -58.24 -41.9 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.055 1.342 . . . . 74.33 110.452 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 32.2 t70 -63.32 -35.82 81.63 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.93 0.892 . . . . 65.22 111.294 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.83 -32.51 57.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.736 0.415 . . . . 71.33 110.787 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.32 -35.36 80.1 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.131 0.573 . . . . 73.54 110.768 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 58.3 mtpt -63.98 -30.85 71.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.798 0.839 . . . . 74.3 111.379 175.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -86.17 -5.74 59.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.558 0.743 . . . . 75.31 111.787 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 64.22 20.27 12.11 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.568 1.147 . . . . 75.44 110.334 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.38 -19.83 59.32 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.728 1.211 . . . . 72.13 111.193 -170.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 55.0 mt -105.25 124.4 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.158 0.983 . . . . 72.24 108.67 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.579 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 31.3 t70 -78.39 -42.33 30.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.28 0.632 . . . . 75.34 110.859 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.11 138.67 19.6 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.463 -0.79 . . . . 74.15 109.698 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -135.89 142.62 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.329 0.652 . . . . 73.44 109.81 -175.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.4 mt -124.01 109.11 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.072 0.949 . . . . 74.24 108.673 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.438 HG22 HG21 ' A' ' 62' ' ' ILE . 41.3 t -104.35 121.81 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.534 1.133 . . . . 72.24 110.286 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HG2' HG23 ' A' ' 13' ' ' ILE . 43.7 tptt -115.68 106.82 14.33 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.305 1.042 . . . . 75.14 108.874 173.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.413 HG23 HG11 ' A' ' 51' ' ' VAL . 6.4 t -162.74 150.52 13.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.081 1.353 . . . . 73.14 108.495 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.545 ' HA ' ' HG ' ' A' ' 77' ' ' SER . 1.2 mp0 -91.97 -13.29 31.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.221 0.608 . . . . 75.43 111.222 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.11 107.85 15.13 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.832 -0.803 . . . . 72.02 108.832 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -60.12 -25.05 65.16 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.421 1.088 . . . . 74.13 113.131 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.37 -33.7 42.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.959 0.503 . . . . 73.42 110.003 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -70.95 -40.56 71.93 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.257 0.623 . . . . 71.34 109.432 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.488 HG21 HD11 ' A' ' 75' ' ' ILE . 88.8 mt -56.47 -51.74 61.22 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 C-N-CA 124.243 1.017 . . . . 75.21 110.211 171.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.487 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.6 t -54.74 -47.35 73.94 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.799 -1.546 . . . . 72.4 111.063 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 34.8 mm-40 -49.3 -52.74 25.71 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 124.428 1.08 . . . . 70.32 112.265 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 34' ' ' LYS . 1.8 mp -59.48 -47.62 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 123.74 0.65 . . . . 74.13 110.232 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.487 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 61.0 mt -62.49 -34.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.714 0.633 . . . . 74.14 110.914 -177.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 60' ' ' SER . 27.2 mtpp -61.45 -44.29 97.37 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.405 0.682 . . . . 75.43 109.929 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 6.7 mm100 -69.2 -28.6 66.53 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 115.306 -0.861 . . . . 72.33 110.882 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.16 -26.35 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.805 0.842 . . . . 71.15 110.985 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.2 mt -70.77 -36.42 73.07 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.888 -0.782 . . . . 75.22 108.888 173.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.57 -44.13 68.03 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 114.983 -1.008 . . . . 73.24 112.124 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -82.58 -55.52 4.41 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.092 0.472 . . . . 64.43 111.362 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.53 38.78 3.38 Favored Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.606 -0.725 . . . . 65.14 111.576 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.07 178.63 6.14 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.625 0.77 . . . . 74.41 110.488 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -87.57 144.1 26.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.252 -1.018 . . . . 74.25 108.252 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.735 HG11 HG23 ' A' ' 93' ' ' VAL . 7.3 p -143.92 132.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.26 0.552 . . . . 75.32 110.237 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 HD11 HD13 ' A' ' 118' ' ' LEU . 34.7 tp -113.23 136.31 52.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.253 -1.017 . . . . 74.54 108.253 173.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.506 ' HB ' HG23 ' A' ' 95' ' ' THR . 36.9 mm -117.82 119.4 61.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 123.82 0.848 . . . . 74.52 109.266 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 93.4 mt -118.52 121.64 40.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.669 1.188 . . . . 74.5 108.022 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.545 ' HG ' ' HA ' ' A' ' 54' ' ' GLU . 37.3 t -143.76 147.35 34.04 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.168 -0.679 . . . . 74.53 109.168 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -67.82 -37.23 81.66 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.749 0.655 . . . . 75.14 110.106 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.54 109.59 10.4 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 115.092 -0.958 . . . . 61.44 110.077 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.49 -28.99 66.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.433 1.093 . . . . 74.34 110.683 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.25 -34.58 70.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.781 0.433 . . . . 73.15 110.018 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.474 ' O ' HG12 ' A' ' 86' ' ' ILE . 59.5 mt -74.03 -37.18 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.987 0.515 . . . . 73.34 110.396 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 26.4 mm -56.6 -44.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.673 -0.492 . . . . 75.24 109.673 171.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.655 0.782 . . . . 71.2 110.756 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.9 m -59.48 -45.06 92.74 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.994 0.809 . . . . 72.32 111.193 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.9 mm -68.41 -31.64 52.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.519 -0.764 . . . . 74.2 110.914 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 48.2 mtm105 -75.63 -40.58 56.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.941 0.497 . . . . 73.41 112.121 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 ptmt -76.24 -29.05 57.38 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.6 0.36 . . . . 74.53 110.973 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -76.4 -54.85 6.16 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.542 -0.54 . . . . 74.31 109.542 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -112.91 101.46 53.24 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.259 1.024 . . . . 74.52 109.472 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.5 -29.46 20.31 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.511 2.14 . . . . 74.04 113.825 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.74 -29.95 51.39 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.776 0.658 . . . . 70.05 112.776 -171.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.735 HG23 HG11 ' A' ' 73' ' ' VAL . 9.4 p -68.24 133.06 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 122.733 0.413 . . . . 75.43 111.322 -172.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.429 ' HA ' ' CE1' ' A' ' 124' ' ' HIS . 3.6 mp0 -73.03 135.95 44.97 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.109 -0.701 . . . . 75.44 109.109 168.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 75' ' ' ILE . 1.9 p -146.98 145.11 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.99 1.316 . . . . 71.33 108.497 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -162.51 146.66 11.84 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 109.332 -0.618 . . . . 75.15 109.332 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -67.5 128.86 38.0 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.138 -0.69 . . . . 74.41 109.138 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -143.36 106.32 4.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.122 -1.436 . . . . 65.1 107.122 173.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -94.85 -56.86 2.62 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.921 -0.77 . . . . 60.41 108.921 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.89 155.74 18.52 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.58 -1.191 . . . . 74.32 108.763 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HG3' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.21 -26.82 63.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 75.2 112.673 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.55 -45.43 87.12 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 109.876 -0.416 . . . . 74.24 109.876 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.7 -36.14 80.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.068 0.947 . . . . 74.32 111.2 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.525 HG22 HD13 ' A' ' 13' ' ' ILE . 46.8 t -70.15 -59.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.818 0.699 . . . . 73.3 110.597 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' VAL . 61.3 pttt -67.33 -32.84 74.07 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.427 0.454 . . . . 72.11 111.866 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.55 -51.63 66.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.916 0.886 . . . . 74.44 110.747 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.234 0.614 . . . . 73.31 111.881 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' HA ' HD13 ' A' ' 50' ' ' ILE . 69.2 t -64.42 -57.26 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 122.906 0.482 . . . . 75.2 109.8 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.507 ' HB2' ' HE3' ' A' ' 20' ' ' LYS . 27.3 tt0 -58.36 -37.39 75.12 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 123.973 0.796 . . . . 71.54 110.907 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.27 -39.2 89.26 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 114.774 -1.103 . . . . 64.13 110.52 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -72.64 -30.27 64.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.424 0.69 . . . . 72.43 110.545 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.451 HD22 HG11 ' A' ' 4' ' ' VAL . 68.9 mt -71.55 -48.23 49.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.778 0.831 . . . . 71.22 110.886 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.65 -37.18 70.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.525 0.73 . . . . 73.44 111.895 -176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.07 -14.17 45.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.049 0.54 . . . . 64.22 111.751 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.27 -56.63 4.26 Favored Glycine 0 C--N 1.352 1.422 0 N-CA-C 112.323 -0.311 . . . . 40.44 112.323 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.41 52.49 0.42 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.707 -0.557 . . . . 63.14 111.707 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -159.32 158.89 33.24 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.273 1.029 . . . . 75.42 109.974 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.431 HD13 HD11 ' A' ' 74' ' ' LEU . 45.0 mt -130.03 -62.31 0.95 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.407 0.683 . . . . 74.11 110.158 174.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 107.15 0.81 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.33 -1.305 . . . . 74.44 110.661 -176.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -72.13 82.03 0.98 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.589 0.756 . . . . 72.21 110.179 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -123.37 -68.31 0.88 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.04 -1.467 . . . . 73.2 107.04 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -157.5 -48.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.141 0.976 . . . . 71.11 110.528 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -137.8 -77.76 0.38 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.665 0.786 . . . . 75.23 109.793 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 94' ' ' GLU . 69.3 t60 -162.41 149.17 13.29 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.559 0.744 . . . . 73.24 110.263 -172.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 42.7 t60 . . . . . 0 C--O 1.249 1.07 0 N-CA-C 108.211 -1.033 . . . . 71.04 108.211 169.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.636 -0.505 . . . . 72.52 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.89 86.19 0.52 Allowed Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.762 -0.535 . . . . 64.31 111.762 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.61 108.66 1.4 Allowed 'General case' 0 C--O 1.242 0.695 0 CA-C-O 120.86 0.362 . . . . 73.25 110.693 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.48 122.11 45.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 114.6 -1.182 . . . . 74.14 108.206 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.1 t -117.35 120.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.37 -0.604 . . . . 75.5 109.37 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -96.05 104.89 16.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.211 -0.663 . . . . 72.12 109.211 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 55.2 tp -95.07 112.8 24.46 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.982 -0.747 . . . . 74.43 108.982 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -132.85 142.98 49.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.203 -0.666 . . . . 72.43 109.203 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.16 2.66 55.93 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.452 0.701 . . . . 74.13 110.054 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -128.39 130.14 47.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.748 0.819 . . . . 62.14 110.275 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -67.21 -46.93 72.39 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.673 0.789 . . . . 73.42 112.418 -175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -50.96 -37.5 44.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.762 0.825 . . . . 75.44 111.553 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.631 HD13 HG23 ' A' ' 104' ' ' VAL . 47.9 mm -69.26 -52.0 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.388 -1.278 . . . . 73.42 110.56 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.466 HG23 ' HB ' ' A' ' 30' ' ' THR . 84.8 mt -57.91 -40.59 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.335 1.054 . . . . 75.13 111.781 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -46.6 88.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.81 0.844 . . . . 72.14 111.005 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.63 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.2 mm-40 -65.78 -47.38 75.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.214 -0.903 . . . . 74.3 111.914 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.97 -42.08 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.451 0.7 . . . . 62.12 111.169 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 -37.39 72.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.269 0.628 . . . . 70.12 111.764 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -72.78 -39.32 66.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.577 0.351 . . . . 75.21 110.999 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.15 -42.88 96.59 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.859 -0.61 . . . . 73.41 110.357 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.88 78.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.597 0.759 . . . . 75.51 110.82 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.5 -50.02 74.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.822 0.849 . . . . 71.03 110.39 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.9 -32.98 74.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.648 0.779 . . . . 72.54 112.626 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.67 -5.99 50.22 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.33 0.493 . . . . 73.42 112.33 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.89 67.65 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 114.022 0.369 . . . . 55.44 114.022 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -90.06 117.88 29.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.032 0.933 . . . . 73.42 110.964 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.84 94.74 8.8 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.697 -1.223 . . . . 63.54 107.697 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.93 129.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.724 -0.61 . . . . 74.23 109.56 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 5' ' ' VAL . 64.5 tp60 -75.51 105.79 6.72 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.215 -1.032 . . . . 73.43 108.215 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.466 ' HB ' HG23 ' A' ' 14' ' ' ILE . 32.7 p -98.07 129.37 44.91 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.48 -0.933 . . . . 74.44 108.48 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.5 t -152.92 155.21 36.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.774 0.43 . . . . 75.04 110.998 -170.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -104.68 -13.6 15.88 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.352 1.061 . . . . 72.33 109.862 170.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.472 ' O ' HG12 ' A' ' 37' ' ' ILE . 6.3 m-20 -75.11 78.96 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.239 1.016 . . . . 74.25 110.929 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -33.93 73.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.336 0.654 . . . . 74.13 111.362 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 123.332 0.653 . . . . 75.35 110.337 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 29.5 tt0 -65.94 -49.06 69.25 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.017 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 33' ' ' ASP . 35.8 mm -62.84 -38.55 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 123.68 0.792 . . . . 75.14 111.484 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.587 HG22 ' HG3' ' A' ' 65' ' ' GLN . 43.2 mt -55.58 -44.17 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.826 0.85 . . . . 73.21 110.537 171.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 28.2 t70 -71.37 -29.68 65.25 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.544 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.36 -29.77 59.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.991 0.516 . . . . 74.23 110.274 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.84 -41.52 97.81 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.192 0.597 . . . . 72.31 109.736 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HZ3' ' NE2' ' A' ' 65' ' ' GLN . 67.6 mttm -59.54 -37.77 79.27 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.352 0.661 . . . . 74.21 111.105 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.7 mtt180 -80.9 -8.23 59.68 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.45 0.7 . . . . 75.35 112.851 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 69' ' ' SER . 10.1 mmm180 65.96 17.52 10.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.505 0.722 . . . . 72.03 111.921 -174.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -21.62 61.54 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.152 0.981 . . . . 73.1 111.872 -178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG23 ' HB ' ' A' ' 49' ' ' ILE . 49.4 mt -105.14 126.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.45 0.7 . . . . 73.33 109.752 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -83.71 -46.73 11.95 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.282 0.563 . . . . 72.24 109.906 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 ptm -144.23 140.02 29.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.322 -0.854 . . . . 74.3 109.497 -175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' HB ' HG23 ' A' ' 46' ' ' ILE . 7.5 tt -138.58 140.24 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.917 0.887 . . . . 64.15 109.809 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -127.63 117.4 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.1 -1.074 . . . . 72.35 108.1 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 62' ' ' ILE . 49.1 t -109.31 124.77 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.29 0.636 . . . . 75.02 110.644 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -116.33 107.62 15.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.344 0.658 . . . . 75.43 109.4 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 t -165.33 152.47 10.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.219 1.008 . . . . 74.1 108.626 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.54 2.59 56.36 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.026 0.53 . . . . 52.14 110.888 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -86.22 89.55 7.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.63 -0.878 . . . . 74.35 108.63 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 82' ' ' ILE . 21.4 pttm -62.35 -26.8 68.65 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.954 0.902 . . . . 74.34 112.373 -173.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.32 -49.04 68.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.038 0.535 . . . . 74.25 110.345 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -67.12 -40.2 86.78 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.609 0.568 . . . . 73.0 110.183 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.505 HG22 HD12 ' A' ' 75' ' ' ILE . 81.1 mt -52.01 -52.83 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 124.191 0.932 . . . . 74.4 110.317 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.6 t -59.53 -31.08 69.07 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.153 -0.93 . . . . 74.33 111.78 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -70.38 -43.85 69.25 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.839 0.455 . . . . 72.53 110.894 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.498 HG22 HG22 ' A' ' 51' ' ' VAL . 1.8 mp -56.2 -47.92 80.12 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 N-CA-C 109.515 -0.55 . . . . 74.31 109.515 174.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 63.1 mt -61.01 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 123.719 0.637 . . . . 71.24 111.181 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 60' ' ' SER . 61.8 mttp -55.62 -44.36 76.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.939 0.496 . . . . 73.34 110.422 174.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.587 ' HG3' HG22 ' A' ' 38' ' ' ILE . 12.2 mm100 -73.06 -25.29 60.86 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.048 -0.978 . . . . 75.21 112.687 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG12 ' HB ' ' A' ' 73' ' ' VAL . 76.0 t -75.92 -34.06 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.095 0.558 . . . . 63.11 110.624 174.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 79.3 mt -71.31 -38.65 71.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.339 -0.615 . . . . 73.0 109.339 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.63 -39.77 94.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.412 1.085 . . . . 73.41 111.439 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . 77.6 p -82.41 -32.51 29.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.995 0.518 . . . . 63.2 111.388 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.23 37.87 35.85 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.77 -0.65 . . . . 64.51 112.129 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB2' HG13 ' A' ' 66' ' ' VAL . . . -88.03 174.5 8.24 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.648 0.779 . . . . 71.53 110.934 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 132.85 43.51 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.919 -1.141 . . . . 74.24 107.919 175.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.548 ' HB ' HG12 ' A' ' 66' ' ' VAL . 9.8 p -133.81 137.84 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-O 121.492 0.663 . . . . 74.24 112.572 -175.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.48 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.2 tp -120.72 126.12 49.37 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.727 1.211 . . . . 71.42 108.03 171.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 95' ' ' THR . 41.1 mm -109.47 127.16 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.559 -0.534 . . . . 73.54 109.559 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -126.31 133.23 51.45 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.555 1.142 . . . . 73.41 108.169 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.2 p -150.6 156.94 42.36 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.883 0.473 . . . . 71.23 109.867 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -82.26 13.58 3.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.93 0.892 . . . . 74.12 112.646 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.476 ' HB3' HD13 ' A' ' 82' ' ' ILE . 21.6 t70 -139.12 128.96 24.86 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.235 0.614 . . . . 72.02 110.214 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.66 -33.17 75.27 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.613 1.165 . . . . 75.05 112.777 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -74.05 -31.43 62.87 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.55 0.34 . . . . 70.55 110.209 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 56' ' ' LYS . 88.1 mt -66.06 -48.01 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.405 -0.591 . . . . 74.12 109.405 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mm -55.1 -41.34 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.017 0.527 . . . . 75.3 110.781 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.17 -48.73 72.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.078 0.551 . . . . 74.41 111.449 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 51.7 p -61.12 -38.74 87.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.843 0.457 . . . . 65.45 111.108 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG23 HG12 ' A' ' 93' ' ' VAL . 22.9 mm -65.88 -37.77 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.35 -0.841 . . . . 75.05 110.918 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -78.98 -25.97 43.39 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.283 0.846 . . . . 73.44 113.283 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.9 pttt -94.16 -20.27 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.381 0.992 . . . . 73.41 111.341 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.19 -52.4 16.69 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.006 -0.738 . . . . 74.23 109.006 163.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.493 ' O ' HG11 ' A' ' 93' ' ' VAL . 51.5 m-85 -120.11 96.37 49.27 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.122 -0.945 . . . . 75.34 108.721 -176.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.13 -17.47 40.39 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.464 2.109 . . . . 74.21 113.819 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -100.68 4.65 43.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.281 0.845 . . . . 75.31 113.281 -174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.531 HG23 HG11 ' A' ' 73' ' ' VAL . 13.4 p -79.75 139.74 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 118.212 0.46 . . . . 71.3 109.929 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.562 ' HG3' ' HA ' ' A' ' 117' ' ' SER . 32.7 mm-40 -86.29 129.87 34.71 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.348 -0.982 . . . . 74.34 108.348 171.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 75' ' ' ILE . 46.5 p -137.01 169.1 18.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.002 0.521 . . . . 73.2 110.284 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HD3' ' HB3' ' A' ' 107' ' ' ALA . 52.7 ttt85 -159.23 133.76 7.88 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.959 -1.126 . . . . 73.11 107.959 165.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.73 122.52 18.26 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.413 -0.958 . . . . 73.1 108.413 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.12 103.41 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.673 -1.232 . . . . 71.43 107.673 -176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.22 -50.54 7.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.458 -0.792 . . . . 75.12 110.0 -176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -93.62 152.57 18.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.453 -0.794 . . . . 71.41 109.754 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -59.3 -27.27 65.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.607 1.563 . . . . 73.35 113.295 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.28 -45.25 81.13 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.861 0.465 . . . . 65.2 110.739 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.86 -34.18 75.53 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.31 0.644 . . . . 74.24 111.022 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.631 HG23 HD13 ' A' ' 13' ' ' ILE . 46.1 t -66.31 -54.65 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.316 -0.856 . . . . 70.01 110.501 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.63 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 66.1 pttt -61.73 -37.21 83.37 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.684 0.615 . . . . 74.24 111.358 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.19 -41.81 89.73 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.798 0.439 . . . . 74.33 111.613 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.426 ' HB3' ' HD3' ' A' ' 96' ' ' ARG . . . -64.02 -34.37 77.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.16 0.584 . . . . 73.5 110.774 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 59.3 t -61.29 -57.17 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.003 0.921 . . . . 74.12 109.761 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.17 -35.8 72.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.659 0.599 . . . . 75.54 111.045 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.71 -48.24 80.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.81 0.844 . . . . 70.33 110.085 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.445 ' HB2' HD22 ' A' ' 74' ' ' LEU . 43.6 t80 -64.51 -33.17 75.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.418 1.087 . . . . 75.51 110.731 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 85.1 mt -77.51 -42.91 33.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.516 0.726 . . . . 75.22 112.299 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.9 -22.85 52.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.844 0.458 . . . . 73.05 112.015 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HB3' ' HE2' ' A' ' 120' ' ' HIS . 46.0 mm-40 -83.4 -19.19 36.46 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.329 -0.396 . . . . 72.4 110.532 169.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.83 41.28 93.64 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.644 0.59 . . . . 53.24 112.453 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.91 -127.54 3.6 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 109.575 -1.41 . . . . 71.42 109.575 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.562 ' HA ' ' HG3' ' A' ' 94' ' ' GLU . 20.2 m -54.46 136.39 44.39 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.236 1.014 . . . . 75.42 113.668 -172.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.56 -56.64 14.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.462 -0.94 . . . . 75.32 108.462 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -103.87 110.3 22.36 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 107.339 -1.356 . . . . 75.24 107.339 166.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 114' ' ' GLU . 29.5 m-70 -65.73 -30.63 71.32 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.511 0.724 . . . . 75.52 109.929 176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -105.47 84.63 2.12 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 107.71 -1.219 . . . . 62.44 107.71 163.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -68.33 86.23 0.28 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.962 0.905 . . . . 62.54 109.873 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -159.74 117.45 2.67 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.628 -1.249 . . . . 75.32 107.628 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -150.49 121.96 7.93 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.673 0.789 . . . . 73.04 109.136 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 108.911 -0.774 . . . . 74.42 108.911 177.077 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptm . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 111.803 0.298 . . . . 75.44 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.57 26.04 4.08 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-O 119.808 -0.44 . . . . 75.0 112.184 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.88 105.58 2.02 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 117.126 0.463 . . . . 75.24 110.242 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.59 126.73 45.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.867 0.867 . . . . 74.45 108.713 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -129.26 120.08 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.677 -0.861 . . . . 74.04 108.677 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -94.26 126.22 39.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.503 -0.554 . . . . 75.11 109.503 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.2 tp -113.44 135.72 53.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.554 -1.276 . . . . 71.11 107.554 174.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 t -150.47 155.22 39.11 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.855 -0.424 . . . . 74.3 109.855 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.15 -30.37 17.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.369 -0.832 . . . . 73.2 109.468 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.37 124.31 33.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.743 -0.662 . . . . 73.45 109.738 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.77 -38.97 92.69 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.691 0.619 . . . . 73.11 110.952 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.02 -39.65 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.966 0.906 . . . . 74.23 110.57 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.558 HG23 ' HG2' ' A' ' 52' ' ' LYS . 45.1 mm -73.95 -44.73 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.208 -1.36 . . . . 73.43 110.551 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.502 HG23 ' HB ' ' A' ' 30' ' ' THR . 83.3 mt -54.05 -44.65 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.971 0.908 . . . . 73.54 110.56 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.82 -46.3 85.75 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.152 0.981 . . . . 65.45 112.027 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 27.6 mm-40 -71.32 -36.84 71.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.568 0.747 . . . . 72.33 112.678 -176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -71.62 -39.23 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.889 -0.412 . . . . 71.32 109.889 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -64.99 -35.49 81.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.281 0.632 . . . . 71.14 110.56 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -64.97 -58.43 6.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.691 0.796 . . . . 64.44 109.742 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 105' ' ' LYS . 23.6 tptm -56.69 -44.13 81.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.464 1.105 . . . . 72.24 111.382 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -53.88 53.33 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.906 -1.043 . . . . 73.41 111.172 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.43 -35.7 81.72 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.31 0.644 . . . . 71.43 111.628 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -59.35 -43.66 92.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.12 0.568 . . . . 73.4 111.26 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.23 1.91 56.75 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.978 0.733 . . . . 75.21 112.978 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 28.93 63.02 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 113.822 0.289 . . . . 65.13 113.822 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -90.45 114.3 26.42 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.836 0.854 . . . . 74.54 110.937 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.2 95.72 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.768 -0.827 . . . . 63.12 108.768 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 HD12 ' A' ' 112' ' ' LEU . 43.5 mt -125.31 116.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.254 -0.647 . . . . 74.4 109.254 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB3' HG23 ' A' ' 5' ' ' VAL . 24.9 tp60 -76.99 111.8 12.94 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.225 -0.657 . . . . 74.24 109.225 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.502 ' HB ' HG23 ' A' ' 14' ' ' ILE . 10.5 p -96.57 130.27 43.8 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.543 0.737 . . . . 64.41 109.425 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -147.59 160.99 42.03 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.44 0.696 . . . . 73.31 110.738 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -116.24 -25.05 7.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.64 1.176 . . . . 72.3 109.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -81.26 91.04 6.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 121.162 0.506 . . . . 72.31 110.155 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.11 -33.48 75.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.392 1.077 . . . . 72.22 112.46 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.0 -30.08 64.87 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.08 0.552 . . . . 74.14 111.421 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.1 tt0 -61.96 -49.16 77.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.291 -0.633 . . . . 75.44 109.291 169.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.26 -39.99 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 114.729 -1.123 . . . . 74.55 111.565 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.433 HG22 ' HG3' ' A' ' 65' ' ' GLN . 89.2 mt -57.82 -45.57 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.257 1.023 . . . . 73.44 110.602 174.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.43 -36.87 83.76 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.788 -1.096 . . . . 74.33 111.485 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.05 -31.7 61.36 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 73.44 111.054 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD22 ' HB ' ' A' ' 46' ' ' ILE . 88.0 mt -64.23 -35.57 81.25 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.303 0.641 . . . . 70.1 110.452 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.35 -34.09 76.0 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.506 0.722 . . . . 73.51 111.396 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -85.32 -1.16 56.67 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 75.44 112.32 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 62.84 22.14 13.23 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 124.101 0.96 . . . . 75.41 110.567 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -75.29 -20.87 58.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.976 1.31 . . . . 74.31 110.967 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' HB ' HD22 ' A' ' 41' ' ' LEU . 35.4 mt -117.12 128.55 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.061 0.944 . . . . 74.42 109.464 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -90.02 -36.68 14.79 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.843 0.857 . . . . 72.34 110.476 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 ptm -150.79 136.67 18.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.673 -1.149 . . . . 73.44 109.417 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.9 tt -134.49 144.39 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.79 0.836 . . . . 74.52 109.634 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 HD13 HG13 ' A' ' 108' ' ' VAL . 62.9 mt -130.55 123.55 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.088 -1.078 . . . . 73.41 108.088 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 62' ' ' ILE . 40.0 t -118.62 119.64 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.383 0.673 . . . . 74.23 110.453 -171.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 13' ' ' ILE . 26.4 tptp -103.91 106.93 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 73.44 108.922 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.425 HG23 HG13 ' A' ' 51' ' ' VAL . 11.6 t -167.62 150.08 5.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.935 . . . . 74.34 109.062 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -97.78 -0.52 45.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.774 0.83 . . . . 71.32 110.34 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -74.58 94.74 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 174.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' ' 82' ' ' ILE . 46.3 mtmt -55.04 -34.25 63.36 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.796 1.238 . . . . 75.31 112.58 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 42.8 mt-10 -74.53 -33.99 62.89 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.102 0.961 . . . . 74.11 110.984 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -67.26 -51.02 58.14 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.645 -0.502 . . . . 71.24 109.645 172.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.3 mt -50.91 -46.21 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 124.546 1.154 . . . . 75.13 110.142 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.9 t -53.15 -52.59 58.25 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.023 -1.444 . . . . 71.3 111.785 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 22.4 mm-40 -65.61 -44.48 86.4 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.367 0.667 . . . . 75.34 111.816 -174.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.506 HG22 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -58.48 -49.6 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 O-C-N 123.695 0.622 . . . . 73.42 110.173 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 75' ' ' ILE . 76.7 mt -60.25 -41.29 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 75.22 111.095 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -56.64 -42.07 78.26 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.198 0.599 . . . . 74.13 110.835 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' A' ' 38' ' ' ILE . 15.4 mm100 -68.09 -34.38 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.406 -0.815 . . . . 73.2 111.506 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 71' ' ' ALA . 94.6 t -76.46 -28.81 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.514 0.725 . . . . 75.45 111.149 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -71.18 -41.32 70.5 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.75 -0.833 . . . . 61.53 108.75 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.25 -43.53 97.76 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 72.12 110.976 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -85.71 -21.9 28.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.263 0.625 . . . . 62.21 112.073 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 33.72 75.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 123.352 0.407 . . . . 73.23 112.144 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 66' ' ' VAL . . . -86.86 -178.88 6.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.543 0.737 . . . . 65.14 111.026 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.33 141.98 29.76 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.735 -0.839 . . . . 74.42 108.735 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.754 HG11 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.07 137.34 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.054 0.454 . . . . 73.34 110.745 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.8 tp -121.45 115.94 23.8 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.354 -0.98 . . . . 73.43 108.354 172.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.538 HG13 HD11 ' A' ' 63' ' ' ILE . 37.7 mm -93.93 123.5 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.251 -0.648 . . . . 73.24 109.251 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 93.7 mt -118.93 120.54 37.58 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.728 -1.212 . . . . 73.45 107.728 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -137.29 141.77 41.93 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.937 -1.134 . . . . 64.24 107.937 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -67.98 -37.99 82.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.727 0.642 . . . . 71.12 110.342 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.432 ' HB3' HD12 ' A' ' 82' ' ' ILE . 18.9 t70 -83.18 118.33 23.53 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.283 -0.871 . . . . 74.25 109.457 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.44 -24.37 62.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.998 -1.001 . . . . 72.2 111.883 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -72.67 -32.73 66.04 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.163 -0.68 . . . . 73.15 109.163 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 56' ' ' LYS . 68.1 mt -65.87 -49.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.406 -0.815 . . . . 62.3 109.111 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.559 HG21 ' HB ' ' A' ' 95' ' ' THR . 27.0 mm -52.43 -44.56 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 123.537 0.523 . . . . 73.3 111.321 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -69.82 -34.57 73.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.41 0.684 . . . . 70.23 111.403 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -68.91 -36.72 78.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.237 0.615 . . . . 73.44 110.09 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 82' ' ' ILE . 45.4 mm -69.97 -28.18 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.044 0.538 . . . . 71.22 110.246 177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -71.01 -44.03 66.71 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.539 0.335 . . . . 73.42 111.843 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.581 ' HZ3' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -68.13 -39.11 82.78 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 120.459 0.171 . . . . 72.52 111.056 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.37 -39.3 65.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.337 0.655 . . . . 75.22 111.135 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -135.69 94.69 14.73 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.722 0.809 . . . . 73.34 109.4 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.18 -22.37 19.22 Favored 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 122.206 1.937 . . . . 74.14 112.814 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -68.49 -31.76 71.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.991 0.917 . . . . 72.51 113.036 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.754 HG23 HG11 ' A' ' 73' ' ' VAL . 7.6 p -77.87 137.96 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.799 0.44 . . . . 65.23 111.653 -173.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.55 116.03 12.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.042 -0.725 . . . . 72.53 109.042 165.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.559 ' HB ' HG21 ' A' ' 83' ' ' ILE . 23.0 p -117.7 153.02 34.07 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 123.791 0.837 . . . . 62.4 109.284 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.471 ' HD2' HD11 ' A' ' 118' ' ' LEU . 53.8 ttt180 -162.28 135.07 5.87 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.292 0.637 . . . . 63.22 109.563 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.4 126.08 28.48 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.949 -0.76 . . . . 75.41 108.949 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.63 106.41 4.47 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.972 -1.121 . . . . 71.23 107.972 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.39 -52.11 3.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.742 0.817 . . . . 75.22 109.809 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.04 151.43 22.26 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.384 -1.28 . . . . 71.44 109.33 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -50.63 -33.94 24.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.491 1.516 . . . . 73.05 112.718 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 6.2 pt-20 -69.61 -43.11 73.39 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.619 0.574 . . . . 74.24 110.841 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.51 -35.92 80.91 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.779 0.674 . . . . 75.1 111.162 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.542 HG23 HD12 ' A' ' 13' ' ' ILE . 38.8 t -71.78 -57.86 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.635 0.584 . . . . 71.25 110.484 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 63.6 pttt -64.28 -34.17 77.51 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.503 0.557 . . . . 74.14 112.503 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 1.9 m-20 -72.69 -37.78 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.212 0.605 . . . . 73.54 111.367 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.19 83.29 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.79 0.436 . . . . 72.24 110.626 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 50' ' ' ILE . 76.2 t -60.87 -51.22 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 114.866 -1.061 . . . . 64.33 109.602 175.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 35.7 tt0 -58.85 -39.77 82.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.084 -0.962 . . . . 74.22 112.155 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.0 mt-10 -71.53 -35.43 70.69 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.913 0.885 . . . . 74.33 111.355 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 117' ' ' SER . 24.4 t80 -67.33 -26.05 66.31 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.907 -1.042 . . . . 72.55 109.81 176.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 28' ' ' ILE . 65.9 mt -82.63 -36.35 26.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.472 1.109 . . . . 74.12 112.012 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.7 mttm -59.93 -46.99 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.53 0.732 . . . . 75.21 111.417 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.13 -22.03 23.06 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.888 -0.596 . . . . 71.24 110.166 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.73 56.66 9.11 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.61 0.569 . . . . 73.03 113.699 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.53 -4.83 6.65 Favored Glycine 0 N--CA 1.474 1.202 0 CA-C-O 120.322 -0.154 . . . . 74.23 113.422 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 59.3 m -142.75 168.11 20.49 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.133 0.973 . . . . 74.13 109.355 174.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.471 HD11 ' HD2' ' A' ' 96' ' ' ARG . 32.0 mt -95.62 166.34 11.89 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.222 1.009 . . . . 63.01 109.047 172.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.87 -52.28 66.41 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.304 0.642 . . . . 62.53 110.784 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -75.77 152.81 37.29 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.457 -0.942 . . . . 74.33 108.457 164.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.1 m170 74.46 39.92 0.44 Allowed 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.36 -1.348 . . . . 75.44 107.36 -160.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -60.13 107.44 0.64 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.027 -1.442 . . . . 72.44 111.606 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.1 t60 53.74 45.27 28.28 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.555 1.142 . . . . 74.31 110.535 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -72.05 -11.02 60.56 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 116.046 -0.524 . . . . 75.54 111.702 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 . . . . . 0 C--O 1.249 1.033 0 N-CA-C 107.259 -1.386 . . . . 73.44 107.259 167.074 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.937 -0.394 . . . . 71.33 109.937 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.97 60.92 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 119.934 -0.37 . . . . 63.04 112.251 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -68.86 104.99 2.2 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.968 0.507 . . . . 74.31 110.82 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' MET . 12.0 t -89.12 126.24 42.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.773 1.295 . . . . 74.53 109.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 29' ' ' GLN . 84.3 t -130.37 119.39 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.736 -0.839 . . . . 75.25 108.736 172.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 30' ' ' THR . 88.2 t80 -95.1 145.88 24.68 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.384 -0.599 . . . . 74.55 109.384 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -136.54 135.24 38.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.11 . . . . 74.43 108.899 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.6 t -158.55 159.23 35.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.527 0.731 . . . . 73.05 109.404 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.84 -17.47 24.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.471 0.709 . . . . 63.31 110.701 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.02 130.43 54.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.241 0.617 . . . . 75.51 110.078 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -77.41 -30.62 53.61 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 112.603 0.594 . . . . 74.12 112.603 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.75 -32.47 67.49 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.176 0.512 . . . . 75.31 110.197 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.9 mm -71.63 -49.62 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 114.981 -1.009 . . . . 64.34 109.917 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.28 -39.92 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.44 111.779 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.26 -36.33 82.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.201 0.6 . . . . 72.4 111.534 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 58.8 mm-40 -70.6 -40.5 73.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.098 0.559 . . . . 65.54 111.477 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 108' ' ' VAL . 71.4 t -68.69 -40.62 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.308 0.38 . . . . 70.04 110.743 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.1 t -69.17 -34.66 75.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.227 0.611 . . . . 74.41 110.867 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -73.1 -43.99 61.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.165 0.586 . . . . 74.13 110.117 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -52.12 64.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.678 0.791 . . . . 75.05 109.918 174.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.98 85.97 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.775 -1.102 . . . . 71.11 111.25 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.49 -53.14 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.437 0.695 . . . . 61.13 111.206 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.1 -35.87 82.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.05 -0.523 . . . . 73.44 111.233 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -83.43 -14.54 52.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.214 0.45 . . . . 70.3 112.214 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 12.89 70.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.895 -0.392 . . . . 70.25 113.859 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -79.17 122.75 26.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.112 0.565 . . . . 74.13 110.414 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.21 106.53 15.07 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.854 -0.795 . . . . 74.2 108.854 170.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.488 HD13 HD12 ' A' ' 112' ' ' LEU . 46.7 mt -120.8 131.66 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.255 -1.017 . . . . 74.5 108.255 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HB3' HG21 ' A' ' 5' ' ' VAL . 27.9 tp60 -86.19 109.21 18.74 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.59 -0.893 . . . . 72.24 108.59 173.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.539 HG21 ' HB3' ' A' ' 6' ' ' PHE . 21.2 p -97.99 146.69 25.25 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.931 -0.396 . . . . 75.13 109.931 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -145.65 151.29 37.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.353 0.661 . . . . 74.35 111.194 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -97.75 -28.73 13.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.511 0.724 . . . . 64.01 111.27 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -100.5 116.13 31.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.961 0.504 . . . . 73.15 110.727 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.598 ' HZ3' ' HB3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -68.48 -29.23 67.8 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.844 0.858 . . . . 75.13 111.903 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.19 -37.41 80.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.537 0.735 . . . . 72.34 111.32 -172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.0 tt0 -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.173 -1.376 . . . . 71.02 109.572 172.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.94 -39.47 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 114.522 -1.217 . . . . 75.15 111.741 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.597 HG23 ' HG3' ' A' ' 65' ' ' GLN . 96.1 mt -59.09 -42.37 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.429 1.092 . . . . 72.24 109.421 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 29.1 t70 -64.67 -40.87 96.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.511 -1.222 . . . . 73.12 111.045 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 72.7 mtp180 -70.83 -30.14 66.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.464 0.306 . . . . 73.33 111.562 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.25 -33.94 74.02 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.608 0.763 . . . . 74.43 110.49 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' HE3' HG21 ' A' ' 38' ' ' ILE . 95.8 mttt -62.91 -40.7 98.4 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.229 0.612 . . . . 70.45 110.231 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 57.8 mtt180 -77.6 -2.41 35.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.696 0.799 . . . . 74.12 111.61 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 69.26 13.88 8.57 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.976 1.311 . . . . 74.11 111.607 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -25.77 66.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.734 1.214 . . . . 73.25 113.07 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 49' ' ' ILE . 26.6 mt -107.74 130.83 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.973 -0.38 . . . . 72.24 109.973 -171.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.71 -38.77 9.37 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.143 0.496 . . . . 74.02 110.888 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 17.8 ptm -143.9 124.47 14.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.811 -1.181 . . . . 74.53 107.811 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.499 ' HB ' HG23 ' A' ' 46' ' ' ILE . 7.7 tt -130.15 144.49 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.894 0.878 . . . . 70.42 109.368 -171.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.494 HG22 HG21 ' A' ' 108' ' ' VAL . 63.2 mt -128.98 115.73 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.491 -1.3 . . . . 74.52 107.491 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG23 HG21 ' A' ' 62' ' ' ILE . 70.6 t -112.72 119.46 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.187 0.595 . . . . 73.2 109.523 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -105.79 107.93 19.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.23 1.012 . . . . 75.31 108.455 172.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -161.99 152.56 17.39 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.843 0.857 . . . . 74.23 108.927 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.73 -11.02 25.61 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.607 0.763 . . . . 71.41 110.161 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.45 105.86 8.85 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.867 -0.606 . . . . 74.53 109.485 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -53.28 -38.23 62.9 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.765 1.226 . . . . 74.32 112.892 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 13.2 mm-40 -64.18 -48.51 75.66 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.254 -0.647 . . . . 65.34 109.254 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m -62.17 -44.97 95.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.723 0.809 . . . . 74.03 110.903 -176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.491 HG23 HD13 ' A' ' 75' ' ' ILE . 98.9 mt -53.19 -56.95 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.08 -0.964 . . . . 71.42 110.368 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.3 t -59.43 -42.42 91.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.026 -0.988 . . . . 72.14 111.859 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 14.1 mm-40 -61.71 -48.2 81.84 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.9 0.48 . . . . 74.03 110.383 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.566 HG21 HG23 ' A' ' 51' ' ' VAL . 1.7 mp -57.77 -48.77 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.711 0.632 . . . . 70.5 110.269 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 86.4 mt -55.22 -46.13 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 123.601 0.563 . . . . 64.53 110.31 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -57.17 -43.0 82.16 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.142 0.901 . . . . 71.14 110.553 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.597 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.6 mm100 -73.04 -22.74 60.58 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.507 0.723 . . . . 75.03 112.282 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.54 HG11 ' HB ' ' A' ' 73' ' ' VAL . 97.2 t -84.48 -27.68 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.17 0.588 . . . . 73.43 110.484 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 75.2 mt -67.69 -44.2 78.31 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.993 -1.114 . . . . 74.23 107.993 170.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.74 -42.08 78.65 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.407 1.483 . . . . 71.52 110.469 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -79.65 -21.71 44.47 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.793 -0.639 . . . . 54.13 111.928 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.2 28.27 71.94 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 112.024 -0.43 . . . . 71.25 112.024 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB3' HG12 ' A' ' 66' ' ' VAL . . . -99.17 179.14 4.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.389 1.076 . . . . 74.34 111.484 -171.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.82 142.0 28.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.668 0.787 . . . . 71.11 109.497 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.714 HG12 HG22 ' A' ' 93' ' ' VAL . 6.7 p -143.83 139.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.263 0.625 . . . . 75.45 110.342 177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 tp -118.7 111.8 18.96 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.173 0.989 . . . . 73.34 108.556 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.491 HD13 HG23 ' A' ' 59' ' ' ILE . 34.8 mm -88.07 107.29 17.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-N 115.171 -0.922 . . . . 74.23 109.236 173.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.45 121.63 41.42 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.281 -1.007 . . . . 72.12 108.281 170.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 m -138.92 139.87 38.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.214 -1.402 . . . . 63.34 107.214 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 m -69.01 -33.36 73.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.12 0.568 . . . . 54.42 111.462 -174.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.7 130.98 42.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.132 0.973 . . . . 72.05 111.43 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.37 -22.47 59.19 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.503 0.721 . . . . 63.4 112.687 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -76.15 -33.73 59.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 108.867 -0.79 . . . . 71.43 108.867 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.428 ' O ' HG12 ' A' ' 86' ' ' ILE . 55.7 mt -66.15 -50.58 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 109.123 -0.695 . . . . 73.14 109.123 172.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.56 HG22 ' HB ' ' A' ' 95' ' ' THR . 19.7 mm -50.41 -47.08 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.409 0.684 . . . . 74.11 111.107 173.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -65.14 -38.59 91.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.032 0.933 . . . . 74.13 111.162 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.5 m -63.5 -40.76 97.93 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.145 0.578 . . . . 72.4 110.656 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 82' ' ' ILE . 39.2 mm -68.62 -28.12 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.819 -0.628 . . . . 75.32 110.797 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 45.7 mtm180 -77.38 -41.54 39.8 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.041 0.536 . . . . 73.32 112.163 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -31.47 68.69 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.365 0.266 . . . . 75.13 110.792 -176.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.39 -53.19 7.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.98 0.512 . . . . 74.35 110.362 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.46 ' O ' HG11 ' A' ' 93' ' ' VAL . 3.9 m-85 -121.99 96.47 46.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 123.872 0.869 . . . . 74.4 108.886 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.49 -18.06 23.14 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.019 1.812 . . . . 65.15 112.922 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -83.16 -16.18 47.69 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.041 0.936 . . . . 65.4 113.385 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.714 HG22 HG12 ' A' ' 73' ' ' VAL . 7.7 p -79.75 143.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.672 0.389 . . . . 75.15 110.696 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.97 114.33 14.48 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.446 -0.946 . . . . 75.2 108.446 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.56 ' HB ' HG22 ' A' ' 83' ' ' ILE . 7.3 p -120.49 144.07 48.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.832 0.853 . . . . 73.32 109.655 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -159.55 130.56 5.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.072 -0.513 . . . . 71.32 110.155 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -61.81 130.21 44.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.632 -0.713 . . . . 75.0 109.693 169.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.6 3.94 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.684 -1.228 . . . . 74.5 107.684 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -91.13 -52.12 4.98 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.595 0.358 . . . . 75.15 111.021 -175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 t70 -93.47 153.73 18.31 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.721 0.408 . . . . 75.52 110.406 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.466 ' HB3' HD13 ' A' ' 13' ' ' ILE . 49.7 pttt -61.57 -23.42 65.97 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.596 1.158 . . . . 63.12 112.45 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 31.7 mm-40 -61.33 -51.17 69.97 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 74.25 110.322 169.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.64 -31.1 71.56 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.51 -1.223 . . . . 63.04 111.579 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.435 HG22 HD11 ' A' ' 13' ' ' ILE . 60.3 t -69.48 -53.7 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.825 0.45 . . . . 72.04 110.635 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.7 pttt -64.51 -34.17 77.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.696 0.398 . . . . 73.32 110.999 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.4 -42.34 98.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.666 0.787 . . . . 71.44 111.229 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.07 81.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.62 0.768 . . . . 74.31 111.369 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 50' ' ' ILE . 70.7 t -64.79 -56.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.318 -0.856 . . . . 74.23 109.46 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 27.9 tt0 -49.99 -41.83 47.82 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 124.384 1.053 . . . . 72.43 110.689 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 8.9 tp10 -61.72 -52.21 65.22 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.053 -0.976 . . . . 72.32 110.379 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.07 -31.71 67.33 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.378 1.071 . . . . 75.2 111.478 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD12 HD13 ' A' ' 28' ' ' ILE . 58.3 mt -75.55 -49.95 17.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.861 0.865 . . . . 71.52 111.692 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HB2' ' HZ1' ' A' ' 113' ' ' LYS . 9.9 mtmp? -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.501 0.72 . . . . 72.44 111.039 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 117' ' ' SER . 11.4 mm-40 -80.5 -4.18 52.88 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 115.458 -0.792 . . . . 72.1 111.405 -175.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.47 66.75 1.58 Allowed Glycine 0 C--N 1.351 1.396 0 N-CA-C 113.926 0.33 . . . . 75.4 113.926 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.71 23.65 77.52 Favored Glycine 0 N--CA 1.474 1.215 0 N-CA-C 114.576 0.59 . . . . 71.22 114.576 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 42.8 t -166.08 133.78 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.682 -0.859 . . . . 64.1 108.682 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.54 -78.01 0.08 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.079 0.466 . . . . 75.42 109.847 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 167.03 124.32 0.01 OUTLIER 'General case' 0 C--N 1.352 0.699 0 C-N-CA 125.288 1.435 . . . . 73.41 108.213 -162.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -81.7 82.11 7.52 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.908 -1.145 . . . . 75.33 107.908 167.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.76 88.5 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.379 -0.828 . . . . 74.4 110.325 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.8 109.89 2.63 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 114.472 -1.24 . . . . 72.31 111.457 -170.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -98.1 127.98 44.35 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.264 -0.88 . . . . 74.34 109.755 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -65.23 140.23 58.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.05 1.34 . . . . 74.21 111.406 -173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 109.369 -0.604 . . . . 72.21 109.369 169.719 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 111.14 0.052 . . . . 75.44 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.94 95.54 0.34 Allowed Glycine 0 C--N 1.348 1.237 0 CA-C-O 119.636 -0.536 . . . . 73.32 112.508 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -65.69 97.58 0.33 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 123.326 0.65 . . . . 70.44 110.219 177.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' HB ' HG12 ' A' ' 28' ' ' ILE . 4.2 t -90.74 129.92 40.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.642 -0.873 . . . . 73.53 108.642 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 29' ' ' GLN . 54.9 t -126.76 125.73 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 108.453 -0.943 . . . . 72.55 108.453 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' HB3' HG21 ' A' ' 30' ' ' THR . 58.7 t80 -106.13 108.61 20.21 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.166 0.586 . . . . 71.11 109.742 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.7 tp -94.17 120.86 35.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.793 -1.188 . . . . 74.32 107.793 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 47.7 t -127.16 160.91 29.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.38 0.609 . . . . 75.32 110.571 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.19 -26.1 14.67 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.701 -1.136 . . . . 74.45 110.531 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.7 143.42 51.24 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.441 0.696 . . . . 73.43 111.207 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.49 -46.47 86.0 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.449 1.1 . . . . 74.13 113.224 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 101' ' ' LYS . 48.1 mt-10 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.894 -0.41 . . . . 73.12 109.894 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG21 ' HG2' ' A' ' 52' ' ' LYS . 19.5 mm -48.67 -51.55 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 O-C-N 124.321 1.013 . . . . 74.55 111.85 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -54.79 -48.43 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.101 0.961 . . . . 72.14 111.201 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.65 -36.62 81.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.874 0.869 . . . . 74.31 112.03 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 17.3 mm-40 -68.48 -47.38 67.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 74.13 111.604 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.528 HG12 HG11 ' A' ' 108' ' ' VAL . 69.2 t -70.11 -36.83 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.662 -0.699 . . . . 74.23 111.033 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -62.09 -47.07 86.29 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.57 0.748 . . . . 63.32 110.885 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -66.33 -47.36 73.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.464 0.706 . . . . 74.01 110.881 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.6 tppt? -55.39 -53.08 60.73 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.756 0.66 . . . . 70.42 110.502 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.89 88.97 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.576 0.548 . . . . 55.42 112.19 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.2 -49.05 73.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.846 0.858 . . . . 73.55 110.88 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.85 -33.99 75.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.734 -0.666 . . . . 62.32 112.067 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 19.1 mm-40 -80.72 -21.43 41.21 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.347 0.259 . . . . 75.12 111.272 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.18 9.54 59.24 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 114.481 0.552 . . . . 64.01 114.481 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -74.34 132.71 42.28 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 117.526 0.663 . . . . 65.43 109.937 172.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.02 105.47 17.84 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 112' ' ' LEU . 14.4 mt -121.13 119.79 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 122.885 0.474 . . . . 75.41 110.173 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.1 tp60 -82.86 110.43 17.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.563 -0.903 . . . . 71.44 108.563 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.511 HG21 ' HB3' ' A' ' 6' ' ' PHE . 36.3 p -97.18 138.01 35.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.898 0.479 . . . . 71.03 109.747 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 t -149.96 163.76 37.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.884 0.874 . . . . 73.44 109.806 -175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.55 -30.16 4.91 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.06 0.944 . . . . 72.11 109.16 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.25 109.36 7.68 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.411 0.684 . . . . 72.43 110.41 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -67.37 -30.62 70.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.282 0.633 . . . . 74.13 112.055 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -61.05 -42.55 98.69 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.344 0.658 . . . . 74.32 110.957 -172.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.9 tp10 -57.82 -52.14 66.69 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.307 1.005 . . . . 74.31 109.733 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.46 HD13 HG12 ' A' ' 5' ' ' VAL . 36.8 mm -66.01 -39.31 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.749 -1.114 . . . . 74.14 112.213 -171.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.494 HG23 ' HG3' ' A' ' 65' ' ' GLN . 91.4 mt -59.52 -41.56 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.322 1.049 . . . . 74.4 109.977 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 31.0 t70 -75.86 -26.57 57.24 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.354 -0.839 . . . . 72.41 111.397 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 52.4 mtp85 -72.69 -33.11 66.27 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 109.781 -0.452 . . . . 75.43 109.781 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 mt -68.59 -31.31 70.4 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.883 -0.599 . . . . 74.3 109.963 172.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 8.9 mtpm? -66.46 -34.18 77.36 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.492 0.717 . . . . 74.14 111.474 169.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 60.5 mtt180 -77.32 -7.24 55.69 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.294 0.637 . . . . 73.34 111.33 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 63.76 17.91 10.79 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.397 1.079 . . . . 74.42 110.506 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -68.71 -28.81 67.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.527 . . . . 75.41 112.144 -168.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.493 HG23 ' HB ' ' A' ' 49' ' ' ILE . 36.4 mt -100.49 124.16 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.385 -0.825 . . . . 74.32 110.166 -170.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.6 -37.68 20.83 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.839 0.855 . . . . 74.42 110.411 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.478 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 19.4 ptm -151.41 140.2 20.85 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.658 -1.156 . . . . 75.52 109.067 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.493 ' HB ' HG23 ' A' ' 46' ' ' ILE . 9.6 tt -140.21 141.39 33.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.629 0.772 . . . . 74.02 109.367 -172.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 HD13 HG12 ' A' ' 108' ' ' VAL . 64.6 mt -126.04 118.0 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.072 -1.085 . . . . 74.34 108.072 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 62' ' ' ILE . 35.8 t -108.13 109.72 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 123.267 0.627 . . . . 74.22 109.435 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HG2' HG21 ' A' ' 13' ' ' ILE . 23.4 tptp -96.93 109.36 22.11 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.375 -0.972 . . . . 74.04 108.375 170.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.452 HG21 HG11 ' A' ' 51' ' ' VAL . 9.2 t -169.28 157.03 7.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.66 0.784 . . . . 75.24 109.735 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -102.09 -5.57 24.34 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.683 0.793 . . . . 74.13 109.023 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.41 109.26 14.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.537 0.735 . . . . 74.03 109.971 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -59.54 -31.84 69.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.007 1.323 . . . . 75.41 112.564 -174.465 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.359 0.664 . . . . 74.34 111.191 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 m -63.11 -47.9 80.82 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.921 0.391 . . . . 74.41 110.041 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.26 -49.13 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 114.858 -1.064 . . . . 73.55 110.622 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 26.2 t -57.05 -56.01 27.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.105 0.962 . . . . 70.14 111.712 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 27.4 mm-40 -59.69 -49.83 76.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.446 0.698 . . . . 73.44 111.653 -174.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.506 HG22 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -58.1 -48.19 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 118.9 -0.572 . . . . 74.41 110.864 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 90.7 mt -55.44 -45.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 123.206 0.316 . . . . 75.54 110.646 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 60' ' ' SER . 92.8 mttt -55.88 -45.17 78.63 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.922 0.764 . . . . 74.44 110.93 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.9 mm100 -67.99 -32.84 73.53 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.105 -0.952 . . . . 74.21 111.99 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 73' ' ' VAL . 92.0 t -74.64 -35.66 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.28 0.632 . . . . 73.53 110.63 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.8 mt -59.91 -37.53 79.7 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.046 0.539 . . . . 72.42 109.642 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.18 -42.25 80.22 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.133 -0.94 . . . . 71.32 111.34 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 t -88.78 -13.16 40.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.059 0.544 . . . . 74.15 112.157 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 22.58 75.84 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 114.135 0.414 . . . . 75.13 114.135 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' HB3' HG11 ' A' ' 66' ' ' VAL . . . -81.5 164.42 21.99 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 71.41 111.585 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -79.03 124.42 28.26 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.446 -0.946 . . . . 75.21 108.446 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.611 ' HB ' HG13 ' A' ' 66' ' ' VAL . 4.7 p -121.84 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.989 0.423 . . . . 71.23 110.775 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' A' ' 94' ' ' GLU . 27.5 tp -118.96 120.87 38.55 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.53 -0.915 . . . . 71.2 108.53 173.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.594 ' HB ' HG22 ' A' ' 95' ' ' THR . 50.4 mm -100.66 114.88 40.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.843 -0.799 . . . . 64.21 108.843 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 98.3 mt -108.87 120.05 41.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.252 -1.018 . . . . 72.54 108.252 175.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -139.23 141.68 37.87 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.961 -0.755 . . . . 73.12 108.961 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.0 m -66.67 -26.88 67.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.333 0.653 . . . . 72.43 111.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.15 119.42 34.6 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 121.723 0.773 . . . . 73.35 110.403 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 12.1 pt-20 -75.11 -14.21 60.55 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.161 -0.927 . . . . 65.15 111.429 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.17 -27.69 38.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.963 -0.384 . . . . 71.31 109.963 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.417 HD13 ' HE2' ' A' ' 56' ' ' LYS . 78.3 mt -62.28 -54.61 31.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 N-CA-C 107.413 -1.328 . . . . 75.4 107.413 165.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' A' ' 95' ' ' THR . 41.2 mm -50.67 -47.05 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 O-C-N 124.498 1.124 . . . . 72.33 111.595 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.89 -39.26 83.67 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.31 0.644 . . . . 74.55 112.029 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.9 p -71.11 -33.49 70.19 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.725 0.297 . . . . 62.41 111.286 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.499 HG23 HG12 ' A' ' 93' ' ' VAL . 41.8 mm -68.65 -33.34 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.314 0.646 . . . . 73.41 110.246 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -69.54 -41.36 76.04 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.637 0.775 . . . . 75.32 112.136 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -73.68 -36.8 65.34 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 117.866 0.303 . . . . 73.53 110.914 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.55 -48.28 41.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.926 0.49 . . . . 74.54 110.373 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' HG11 ' A' ' 93' ' ' VAL . 48.2 m-85 -115.68 101.01 54.15 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.367 -0.975 . . . . 75.13 108.367 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -65.25 -32.77 50.88 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.365 2.043 . . . . 73.32 113.956 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -102.74 6.82 39.64 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.037 0.754 . . . . 75.15 113.037 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 73' ' ' VAL . 10.6 p -76.76 145.33 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.955 -0.387 . . . . 71.51 109.955 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.508 ' HG3' HD13 ' A' ' 74' ' ' LEU . 11.9 tp10 -92.86 132.95 36.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.62 -0.881 . . . . 63.43 108.62 172.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.594 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.4 p -144.23 152.83 41.38 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.403 0.681 . . . . 61.01 109.513 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.406 ' HD2' HD11 ' A' ' 118' ' ' LEU . 69.8 ttt180 -160.47 139.12 10.27 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.532 -0.914 . . . . 74.33 108.532 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.495 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 49.9 ttp180 -68.75 129.72 40.74 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.507 -0.923 . . . . 74.43 108.507 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -144.65 107.29 4.43 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.072 -1.085 . . . . 71.41 108.072 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -94.54 -54.26 3.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.686 . . . . 73.41 110.015 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 104' ' ' VAL . 6.0 t70 -95.91 154.99 16.94 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.753 -0.658 . . . . 72.2 110.185 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.485 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.6 pttm -60.89 -29.79 69.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.016 1.326 . . . . 72.22 112.558 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.1 pt-20 -69.92 -42.04 73.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.354 0.409 . . . . 73.24 111.039 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.79 -33.32 75.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.028 0.531 . . . . 75.41 111.526 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 13' ' ' ILE . 99.2 t -72.41 -51.48 28.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 116.257 -0.429 . . . . 63.32 110.755 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 pttt -65.56 -31.67 72.84 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.355 0.409 . . . . 75.31 111.2 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.74 -46.49 87.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.714 0.806 . . . . 71.34 111.33 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.42 72.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.222 0.609 . . . . 74.02 111.768 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.528 HG11 HG12 ' A' ' 17' ' ' VAL . 71.0 t -69.19 -54.21 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.27 0.628 . . . . 72.14 109.934 174.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.69 -49.25 65.68 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.169 0.988 . . . . 74.31 111.472 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.91 -43.72 98.16 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.877 -1.056 . . . . 73.24 111.014 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.51 -37.86 87.69 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.814 0.846 . . . . 74.44 110.974 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 28' ' ' ILE . 72.9 mt -72.03 -42.86 65.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.989 0.916 . . . . 74.51 111.498 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -70.3 -36.79 74.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.817 0.447 . . . . 75.53 111.13 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -78.7 -1.83 36.37 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.927 0.491 . . . . 71.34 111.562 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.07 -52.88 3.22 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.288 -0.725 . . . . 71.35 111.288 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -176.31 61.79 0.1 Allowed Glycine 0 C--N 1.34 0.768 0 N-CA-C 111.232 -0.747 . . . . 74.31 111.232 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -155.6 147.92 23.75 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.086 0.554 . . . . 73.41 111.405 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.406 HD11 ' HD2' ' A' ' 96' ' ' ARG . 77.6 mt -127.56 -50.53 1.38 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.659 1.584 . . . . 74.35 106.789 167.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.66 152.81 39.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.046 -0.979 . . . . 75.43 110.912 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -84.83 108.98 17.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.362 -0.836 . . . . 74.32 111.81 -171.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -66.72 98.98 0.56 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.915 -1.143 . . . . 75.34 107.915 165.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -56.07 110.98 0.83 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.309 1.006 . . . . 64.22 112.368 -166.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -82.01 98.53 8.65 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.547 -0.909 . . . . 74.33 108.547 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -77.44 173.71 11.66 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.965 0.412 . . . . 75.05 111.05 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 p80 . . . . . 0 CA--C 1.553 1.06 0 C-N-CA 123.68 0.792 . . . . 74.34 109.514 179.123 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.373 -0.603 . . . . 64.44 109.373 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.4 35.14 Favored Glycine 0 C--O 1.243 0.7 0 N-CA-C 110.691 -0.964 . . . . 74.24 110.691 -173.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 52.7 tptt -161.8 108.28 1.34 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 117.151 0.476 . . . . 74.01 109.749 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.59 121.73 45.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.297 -1.001 . . . . 62.14 108.297 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.8 137.23 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.232 0.613 . . . . 71.1 109.825 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 30' ' ' THR . 68.3 t80 -111.55 111.45 22.46 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.235 -0.654 . . . . 74.52 109.235 170.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 37' ' ' ILE . 51.8 tp -95.83 136.37 36.33 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.757 -0.831 . . . . 73.53 108.757 171.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 41.4 t -159.58 137.92 10.48 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.703 0.801 . . . . 72.41 109.528 172.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.37 -25.92 58.08 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.5 0.72 . . . . 74.03 111.205 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.05 130.42 46.2 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.185 0.594 . . . . 72.31 109.963 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' HA ' HD13 ' A' ' 14' ' ' ILE . 24.9 tp60 -65.21 -41.14 94.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.361 1.064 . . . . 74.45 112.222 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.53 -32.2 73.4 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.686 0.394 . . . . 71.14 110.733 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 101' ' ' LYS . 28.8 mm -64.07 -48.35 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 O-C-N 123.985 0.803 . . . . 74.34 109.45 173.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 11' ' ' GLN . 92.3 mt -56.07 -42.18 71.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-N 114.565 -1.198 . . . . 74.32 110.222 178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 48.5 mt-10 -70.37 -34.4 72.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.913 0.885 . . . . 74.43 111.786 -175.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.4 mm-40 -63.9 -47.8 79.16 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.499 0.499 . . . . 74.33 110.879 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 105' ' ' LYS . 97.4 t -71.01 -43.61 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.172 -0.922 . . . . 71.02 111.176 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -63.76 -44.01 94.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.435 1.094 . . . . 63.41 111.136 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 24.7 tptp -64.22 -48.01 77.5 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 123.769 0.668 . . . . 74.24 111.192 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -70.22 -32.76 70.78 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.6 0.563 . . . . 75.13 111.331 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -35.93 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.896 -0.593 . . . . 62.54 110.074 173.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.7 -44.38 86.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.515 0.726 . . . . 72.12 110.307 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 9.0 mm-40 -57.14 -42.98 82.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.406 0.682 . . . . 63.15 111.755 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -92.11 -10.82 37.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.94 -0.573 . . . . 73.44 112.453 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.37 21.39 73.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.937 -0.368 . . . . 61.04 113.659 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.27 111.89 4.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.755 0.822 . . . . 74.42 110.074 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 87.58 2.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.277 0.631 . . . . 71.41 109.503 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.31 123.42 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.203 -0.908 . . . . 73.42 109.645 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -82.5 119.88 24.78 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.407 -0.96 . . . . 75.43 108.407 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 6' ' ' PHE . 21.1 p -100.37 142.45 31.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.189 0.595 . . . . 64.24 110.116 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB3' HD13 ' A' ' 37' ' ' ILE . 35.9 t -147.84 153.12 38.74 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.758 0.823 . . . . 75.35 109.606 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' SER . 39.8 t-20 -104.88 -45.3 4.6 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.399 1.08 . . . . 71.03 108.904 171.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.63 111.4 7.75 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.638 0.775 . . . . 73.24 110.531 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HE2' ' HB3' ' A' ' 58' ' ' SER . 0.0 OUTLIER -69.4 -21.99 63.73 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.521 -0.763 . . . . 74.33 112.217 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -65.3 -38.81 91.37 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.079 0.399 . . . . 73.4 110.512 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.65 -47.84 84.46 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.235 1.014 . . . . 44.54 110.355 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG13 HD12 ' A' ' 7' ' ' LEU . 42.8 mm -59.39 -52.6 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 114.455 -1.248 . . . . 74.42 111.963 -175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 91.3 mt -60.14 -36.52 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 73.53 110.274 -177.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 17.9 t70 -62.62 -46.9 86.11 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.31 1.006 . . . . 62.01 110.873 175.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.3 -31.13 70.34 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.895 0.478 . . . . 74.34 110.989 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 94.9 mt -68.55 -34.27 75.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.366 0.666 . . . . 75.24 110.862 174.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 66.5 mttm -58.49 -40.06 81.75 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.318 0.647 . . . . 74.25 110.517 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 45.7 mtt180 -88.21 -7.72 56.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.959 -1.019 . . . . 73.54 111.48 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER 63.1 30.99 16.08 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.488 1.115 . . . . 75.53 109.664 -175.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -66.72 -30.25 70.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.582 0.753 . . . . 73.14 110.873 174.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.448 ' HB ' HD22 ' A' ' 41' ' ' LEU . 49.6 mt -102.28 127.6 55.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.776 0.83 . . . . 73.32 109.292 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 23.4 t70 -95.85 -33.69 12.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.63 0.772 . . . . 63.13 111.063 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.485 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 20.7 ptm -151.38 137.61 18.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.697 0.799 . . . . 75.4 108.962 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 12.9 tt -142.72 149.4 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.164 0.507 . . . . 74.34 110.687 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 108' ' ' VAL . 70.6 mt -127.78 116.46 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.105 -1.072 . . . . 71.24 108.105 176.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.494 HG22 HG21 ' A' ' 62' ' ' ILE . 57.4 t -107.55 111.98 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.197 0.999 . . . . 74.04 110.02 -175.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 13' ' ' ILE . 26.7 tptp -103.76 107.07 17.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.73 -0.841 . . . . 74.11 108.73 171.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.7 t -171.35 162.63 6.81 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.909 0.883 . . . . 52.45 108.654 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -101.91 -4.67 25.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.578 0.751 . . . . 73.2 110.038 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -70.94 92.02 0.9 Allowed 'General case' 0 C--N 1.348 0.524 0 N-CA-C 109.214 -0.661 . . . . 62.55 109.214 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -55.67 -31.77 62.68 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.321 1.048 . . . . 72.53 112.419 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.9 mt-10 -60.95 -47.49 86.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.878 0.871 . . . . 73.43 111.434 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.502 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 78.1 p -69.61 -51.78 31.93 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.217 -0.29 . . . . 75.22 110.217 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 75' ' ' ILE . 86.5 mt -46.53 -55.37 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 124.635 1.209 . . . . 74.12 111.285 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -54.06 -51.89 62.64 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 124.766 1.291 . . . . 73.14 111.19 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 47.8 mm-40 -61.64 -41.78 97.98 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.918 0.761 . . . . 72.4 111.774 -176.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 HG21 HG22 ' A' ' 51' ' ' VAL . 1.7 mp -57.48 -51.01 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 123.473 0.483 . . . . 72.45 109.996 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 59.7 mt -59.13 -45.23 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 123.737 0.648 . . . . 74.3 110.703 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -55.86 -44.09 77.72 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.972 0.909 . . . . 73.01 110.447 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 16.6 mm100 -68.44 -35.16 77.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.752 -1.113 . . . . 72.41 111.251 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 73' ' ' VAL . 57.1 t -71.3 -30.5 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.442 0.697 . . . . 73.53 110.673 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 85.4 mt -66.72 -40.21 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.102 0.561 . . . . 74.14 109.868 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.09 -41.76 73.65 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.49 0.716 . . . . 63.32 111.363 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.512 ' HB2' ' HG2' ' A' ' 44' ' ' ARG . 79.8 p -79.72 -25.02 41.25 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.191 0.597 . . . . 75.32 111.194 -173.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.15 43.88 69.44 Favored Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.245 -0.742 . . . . 73.23 111.245 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -100.29 -173.58 2.46 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.996 0.918 . . . . 72.32 110.604 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.3 mppt? -105.28 145.19 31.02 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.562 -0.903 . . . . 75.12 108.562 169.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.81 HG12 HG22 ' A' ' 93' ' ' VAL . 7.7 p -145.67 137.3 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 122.835 0.454 . . . . 74.41 111.191 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.34 133.2 56.25 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.124 -1.065 . . . . 75.11 108.124 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.527 HD13 HG21 ' A' ' 59' ' ' ILE . 39.8 mm -111.57 117.76 55.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.057 -0.72 . . . . 74.33 109.057 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.8 mt -116.57 126.32 53.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.476 1.11 . . . . 65.2 108.434 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 m -145.25 144.37 30.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.794 -1.187 . . . . 71.1 107.794 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -67.77 -42.75 81.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.749 0.42 . . . . 72.33 110.317 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.02 119.26 18.95 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.648 0.779 . . . . 54.43 111.188 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.81 69.49 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.2 1.0 . . . . 54.5 112.371 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -62.61 -41.93 99.28 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.285 0.634 . . . . 73.31 110.112 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' HG12 ' A' ' 86' ' ' ILE . 73.2 mt -72.36 -43.53 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.19 -0.914 . . . . 74.55 110.455 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.596 HG21 ' HE ' ' A' ' 87' ' ' ARG . 39.9 mm -60.5 -41.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.4 0.28 . . . . 72.52 110.981 176.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.6 -45.63 93.28 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.579 0.752 . . . . 75.05 110.45 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.616 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 54.3 m -58.91 -46.53 87.7 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 123.86 0.725 . . . . 74.54 111.657 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 82' ' ' ILE . 32.8 mm -67.74 -32.38 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 122.694 0.398 . . . . 74.33 110.81 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' HE ' HG21 ' A' ' 83' ' ' ILE . 51.5 mtm180 -69.9 -40.84 75.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.824 0.45 . . . . 75.21 112.05 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.1 pttt -81.86 -33.87 30.4 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 111.617 0.228 . . . . 75.23 111.617 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.84 -36.76 59.52 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.973 0.416 . . . . 74.1 110.222 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG11 ' A' ' 93' ' ' VAL . 58.9 m-85 -133.04 95.3 18.95 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 124.007 0.923 . . . . 73.01 109.141 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.74 -26.72 11.2 Favored 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 121.987 1.791 . . . . 73.32 113.068 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.88 1.94 50.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.448 0.699 . . . . 75.42 112.784 -171.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.81 HG22 HG12 ' A' ' 73' ' ' VAL . 9.1 p -92.72 148.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.058 0.543 . . . . 74.52 109.941 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -78.58 134.57 37.21 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 108.958 -0.756 . . . . 73.31 108.958 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.463 HG23 ' HB ' ' A' ' 75' ' ' ILE . 12.1 p -141.64 148.14 38.7 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.872 0.869 . . . . 75.51 109.657 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -158.87 141.29 14.07 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.976 0.91 . . . . 72.11 108.738 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -71.03 126.27 29.12 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.738 -0.838 . . . . 75.52 108.738 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.59 103.49 4.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.206 -1.035 . . . . 70.03 108.206 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -96.6 -42.33 8.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.872 0.869 . . . . 75.21 110.243 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -92.04 149.8 21.32 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.992 -0.744 . . . . 72.51 108.992 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.48 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -62.8 -25.68 68.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.97 0.908 . . . . 74.22 112.236 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.45 -44.18 83.49 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 109.148 -0.686 . . . . 74.41 109.148 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.33 -36.44 71.15 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 123.49 0.716 . . . . 73.12 111.031 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HG21 ' A' ' 108' ' ' VAL . 39.3 t -65.71 -58.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 124.23 0.956 . . . . 64.35 110.447 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.3 pttt -64.63 -32.36 73.99 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.791 0.682 . . . . 75.22 111.503 -174.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.24 -55.17 36.95 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 123.432 0.458 . . . . 74.51 110.841 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.69 71.0 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.879 0.737 . . . . 75.21 111.766 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 50' ' ' ILE . 53.6 t -62.36 -55.98 20.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.783 0.833 . . . . 75.24 109.861 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.55 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 42.9 tt0 -64.2 -37.06 86.13 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.536 -0.757 . . . . 72.45 110.941 -176.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.04 -37.83 88.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.5 0.72 . . . . 73.53 110.474 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 117' ' ' SER . 65.0 t80 -63.72 -35.82 81.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.481 0.712 . . . . 72.34 109.937 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 68.1 mt -72.14 -40.71 67.87 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.068 -0.969 . . . . 72.11 110.957 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.55 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 99.3 mttt -61.21 -41.14 96.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.703 0.801 . . . . 75.54 112.441 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 117' ' ' SER . 14.0 mm-40 -83.78 9.61 11.48 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.868 0.467 . . . . 70.33 112.088 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 69.2 46.25 58.49 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 112.379 -0.288 . . . . 74.35 112.379 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.19 37.75 9.67 Favored Glycine 0 C--N 1.342 0.881 0 O-C-N 123.675 0.279 . . . . 62.22 113.116 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.526 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 59.8 m -155.08 170.64 21.33 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.268 0.627 . . . . 55.05 110.167 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.3 mt -121.51 179.57 4.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.992 0.917 . . . . 75.35 108.716 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.44 103.24 12.73 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.951 -1.022 . . . . 74.23 108.327 165.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -66.21 133.74 51.27 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.764 -1.199 . . . . 74.12 107.764 168.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -86.16 50.5 2.0 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.966 0.889 . . . . 74.21 109.88 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -134.97 37.32 3.03 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.789 1.635 . . . . 72.44 107.825 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -63.54 86.66 0.03 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 123.91 0.884 . . . . 74.35 108.885 175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -98.5 2.87 48.04 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.687 -1.142 . . . . 61.33 110.897 -168.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 123.977 0.911 . . . . 73.43 108.839 176.563 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 109.331 -0.618 . . . . 73.21 109.331 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.39 73.36 1.6 Allowed Glycine 0 C--N 1.346 1.128 0 O-C-N 123.825 0.703 . . . . 73.43 113.87 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -78.51 104.49 9.15 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 109.066 -0.716 . . . . 74.32 109.066 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.4 ' HB ' HG12 ' A' ' 28' ' ' ILE . 20.2 t -88.27 129.75 38.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 108.166 -1.05 . . . . 72.22 108.166 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.6 t -122.07 114.21 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 108.702 -0.851 . . . . 75.34 108.702 171.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' A' ' 30' ' ' THR . 75.6 t80 -92.84 104.26 16.53 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.518 0.675 . . . . 72.12 109.412 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.3 tp -101.89 131.07 48.47 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.913 1.285 . . . . 73.21 108.72 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 62.0 m -151.58 155.48 38.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.0 0.52 . . . . 74.21 111.734 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.11 -41.48 17.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.419 1.088 . . . . 73.2 111.052 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.61 134.83 34.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.162 0.585 . . . . 73.03 110.405 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -71.24 -41.18 70.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.137 0.975 . . . . 72.44 112.516 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.73 -36.2 71.72 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.12 0.568 . . . . 74.42 110.268 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 104' ' ' VAL . 48.6 mm -62.63 -53.13 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 114.902 -1.045 . . . . 63.0 110.473 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.82 -44.79 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.33 1.052 . . . . 74.43 110.885 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.11 -45.43 85.16 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.12 111.804 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 20.6 mm-40 -65.49 -42.4 92.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.716 0.806 . . . . 74.32 112.032 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.22 -37.79 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 115.874 -0.603 . . . . 71.3 111.141 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -64.87 -35.73 82.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.733 0.813 . . . . 65.53 110.852 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -66.57 -42.69 86.65 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.209 -0.905 . . . . 74.33 110.057 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -65.24 -38.53 90.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.115 -0.493 . . . . 74.41 111.269 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' A' ' 28' ' ' ILE . . . -62.25 -30.59 71.22 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 71.52 111.195 177.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.64 -54.68 8.39 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 72.3 111.183 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.06 -45.96 89.74 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.201 1.0 . . . . 73.2 112.069 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.81 -23.91 59.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.522 0.729 . . . . 75.13 110.992 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.43 32.01 52.74 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.349 -0.387 . . . . 73.44 113.135 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.05 140.41 47.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.296 0.638 . . . . 64.01 110.03 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -87.73 85.55 7.07 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.034 -0.728 . . . . 62.25 109.034 173.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 21' ' ' ALA . 24.5 mt -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 115.606 -0.725 . . . . 74.22 109.649 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HB3' HG22 ' A' ' 5' ' ' VAL . 59.2 tp60 -91.82 114.54 27.11 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 107.922 -1.14 . . . . 74.34 107.922 165.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 6' ' ' PHE . 43.8 p -97.06 146.15 25.29 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.294 -0.632 . . . . 74.0 109.294 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -160.15 162.1 33.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.158 0.583 . . . . 74.42 110.904 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' SER . 24.2 t-20 -112.42 -47.38 3.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.384 1.074 . . . . 72.3 109.631 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.15 98.66 1.37 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.605 -1.179 . . . . 74.41 111.019 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 7.7 ptpp? -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.835 -1.075 . . . . 73.23 113.484 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.35 -22.22 63.77 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.345 0.403 . . . . 75.44 111.074 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 8.2 tp10 -67.34 -43.65 81.03 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.695 0.798 . . . . 64.32 109.904 170.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -77.62 -35.02 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.104 . . . . 75.13 111.748 -175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 65' ' ' GLN . 71.2 mt -58.98 -34.65 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.567 1.147 . . . . 74.41 109.712 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.534 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 14.7 t70 -63.7 -36.81 85.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.711 0.805 . . . . 74.43 110.801 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' NH1' ' HG3' ' A' ' 36' ' ' GLU . 64.6 mtt85 -81.59 -23.67 36.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.642 . . . . 71.11 111.575 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.69 -31.92 68.98 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.229 0.611 . . . . 75.55 110.107 168.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 55.1 mtpt -70.22 -29.1 65.84 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.047 0.939 . . . . 74.53 110.736 172.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 75.5 mtt180 -78.32 -15.77 58.4 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 75.22 111.048 174.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 24.12 13.66 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.297 1.039 . . . . 74.24 111.041 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -99.34 10.68 40.95 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.52 0.728 . . . . 75.24 112.433 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.97 129.54 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 108.402 -0.962 . . . . 72.01 108.402 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -84.0 -47.39 11.03 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.603 0.716 . . . . 71.14 110.098 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 ptm -145.49 137.41 25.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.042 -0.981 . . . . 72.13 109.384 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 tt -131.02 145.74 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.921 0.888 . . . . 74.12 109.213 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 108' ' ' VAL . 61.6 mt -123.83 132.06 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.683 1.193 . . . . 74.02 107.939 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.23 109.93 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.969 -0.752 . . . . 74.23 108.969 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 25.3 tptp -108.02 107.48 18.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.577 0.703 . . . . 74.2 109.148 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -150.99 -161.37 1.32 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.075 -1.454 . . . . 72.42 107.075 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -146.09 33.04 1.0 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -132.63 113.09 12.61 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.504 0.722 . . . . 74.24 109.898 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HZ1' ' HB2' ' A' ' 56' ' ' LYS . 9.5 mtmp? -58.64 -31.06 67.77 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.412 1.085 . . . . 75.23 112.498 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.97 -48.03 59.91 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.635 0.774 . . . . 74.55 110.719 -173.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.621 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . 46.0 p -66.72 -40.33 88.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.717 0.807 . . . . 75.35 111.073 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 75' ' ' ILE . 92.2 mt -54.63 -48.25 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 O-C-N 124.283 0.989 . . . . 74.33 110.202 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.4 t -59.74 -35.55 74.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.773 1.229 . . . . 72.24 111.962 -174.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.39 -48.83 73.97 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.222 0.609 . . . . 72.43 111.199 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.2 -44.94 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 115.509 -0.769 . . . . 74.53 109.79 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 60.4 mt -58.74 -40.92 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 123.658 0.599 . . . . 72.31 110.96 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' SER . 64.2 mttp -56.2 -47.27 78.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.34 110.061 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG3' HG21 ' A' ' 38' ' ' ILE . 13.3 mm100 -65.24 -33.25 75.54 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 115.193 -0.912 . . . . 71.42 111.686 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.597 HG11 ' HB ' ' A' ' 73' ' ' VAL . 95.7 t -79.45 -22.95 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.3 0.64 . . . . 75.31 110.904 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.8 mt -70.73 -34.09 71.52 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.246 -0.65 . . . . 73.35 109.246 173.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -73.0 -38.95 66.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.901 0.88 . . . . 73.22 111.777 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.437 ' HG ' ' HA ' ' A' ' 66' ' ' VAL . 70.8 p -85.72 -32.73 21.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.829 0.452 . . . . 65.02 111.805 -175.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.81 26.01 65.84 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.883 -0.599 . . . . 64.42 113.037 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.8 172.02 14.34 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.748 0.819 . . . . 73.2 111.534 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -83.59 120.67 26.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.95 -1.129 . . . . 75.5 107.95 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.597 ' HB ' HG11 ' A' ' 66' ' ' VAL . 6.1 p -118.02 132.77 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.875 0.47 . . . . 74.44 110.251 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.41 129.41 56.55 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.264 -1.013 . . . . 73.51 108.264 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.523 ' HB ' HG22 ' A' ' 95' ' ' THR . 36.6 mm -115.45 108.55 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.583 -0.895 . . . . 74.04 108.583 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.5 mt -104.05 124.08 48.4 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.221 1.008 . . . . 72.34 108.635 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.3 m -139.13 148.18 42.9 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.679 -0.86 . . . . 75.04 108.679 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -83.4 10.53 8.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.104 0.562 . . . . 72.53 112.269 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.49 130.04 36.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.253 0.621 . . . . 72.45 110.394 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.35 -35.15 78.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.711 1.204 . . . . 73.53 113.04 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -76.99 -32.95 57.59 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.884 0.474 . . . . 74.14 110.416 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.523 HG22 ' HG2' ' A' ' 56' ' ' LYS . 52.7 mt -66.88 -47.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.621 0.768 . . . . 72.3 109.81 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 30.3 mm -56.24 -44.17 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.404 0.681 . . . . 73.34 110.038 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.1 -41.23 99.33 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.994 0.917 . . . . 61.23 111.366 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.452 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.8 m -60.26 -44.39 95.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.22 0.608 . . . . 71.3 111.028 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG23 HG13 ' A' ' 93' ' ' VAL . 47.7 mm -69.39 -31.23 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.947 -0.57 . . . . 74.42 110.635 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 21.3 mtm180 -69.58 -42.43 74.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.127 0.571 . . . . 74.54 112.266 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 62.0 pttt -80.93 -36.7 30.66 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.865 0.32 . . . . 75.24 111.865 -174.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.19 -40.46 71.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.87 0.468 . . . . 72.42 110.677 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.417 ' O ' HG12 ' A' ' 93' ' ' VAL . 12.3 m-85 -122.18 101.84 40.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 108.308 -0.997 . . . . 71.24 108.308 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.14 -32.81 26.6 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.321 2.014 . . . . 75.35 113.563 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.502 ' HZ1' ' HB2' ' A' ' 92' ' ' LYS . 9.6 mtmp? -102.41 15.18 29.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.007 0.743 . . . . 74.33 113.007 -169.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 HG11 ' A' ' 73' ' ' VAL . 14.7 p -85.37 146.73 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.577 -0.527 . . . . 72.41 109.577 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -91.26 114.17 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.741 -1.207 . . . . 72.55 107.741 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.523 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.2 p -118.37 152.95 34.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.223 0.609 . . . . 73.43 109.828 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -160.04 134.51 7.58 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.185 -1.043 . . . . 75.55 108.185 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.09 138.83 54.64 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.188 -0.671 . . . . 73.53 109.188 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.88 116.71 6.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.114 -1.439 . . . . 71.12 107.114 173.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -96.27 -57.28 2.37 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.124 0.488 . . . . 74.24 109.847 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 104' ' ' VAL . 7.2 t70 -91.93 159.72 15.62 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.519 -0.764 . . . . 61.11 110.509 -176.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.83 -32.83 73.19 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.159 1.384 . . . . 70.3 112.578 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.1 pt-20 -67.81 -41.01 83.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.636 0.775 . . . . 73.02 110.435 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.1 -40.39 93.56 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.702 0.801 . . . . 71.01 110.842 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.637 HG21 HD12 ' A' ' 13' ' ' ILE . 57.9 t -67.07 -51.64 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.881 0.738 . . . . 74.1 111.176 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 59.1 pttt -68.52 -32.16 71.91 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.172 0.434 . . . . 74.21 112.172 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -65.57 -38.21 88.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.402 0.281 . . . . 73.21 111.218 170.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.58 95.0 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.338 0.655 . . . . 74.31 110.749 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 57.2 t -62.63 -48.86 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.124 0.97 . . . . 72.15 110.034 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 31.1 tt0 -55.72 -46.42 77.73 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.921 -1.036 . . . . 64.43 111.034 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.11 -35.53 69.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.508 0.723 . . . . 75.41 111.934 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.12 -34.41 74.94 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.538 0.735 . . . . 73.11 109.941 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 34.3 mt -83.77 -45.14 13.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.683 -0.689 . . . . 75.32 112.235 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 63.0 mttm -64.46 -32.92 74.75 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 120.672 0.273 . . . . 74.34 111.67 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -95.91 -19.49 19.5 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.152 0.581 . . . . 72.34 111.121 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.56 10.45 79.54 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.402 0.439 . . . . 73.04 113.388 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -177.12 -103.84 0.17 Allowed Glycine 0 C--N 1.343 0.961 0 N-CA-C 111.179 -0.768 . . . . 71.42 111.179 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 p -57.77 119.53 6.82 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.13 0.972 . . . . 72.23 113.445 -174.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 118' ' ' LEU . 3.2 mp -86.24 -29.78 22.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.439 1.096 . . . . 73.23 109.826 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.03 -161.77 0.77 Allowed 'General case' 0 C--O 1.243 0.755 0 C-N-CA 125.824 1.65 . . . . 64.03 110.247 -173.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 71.95 -66.17 0.31 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.505 1.522 . . . . 75.2 108.413 -166.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 140.93 54.41 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.339 0.655 . . . . 75.43 110.689 174.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 63.44 23.82 13.86 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.732 1.213 . . . . 74.42 111.684 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -116.13 104.6 11.71 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.657 -0.868 . . . . 74.31 108.657 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 96.07 0.18 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.325 1.05 . . . . 72.35 111.27 -174.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.9 m80 . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.847 0.859 . . . . 74.23 108.803 172.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.465 -0.569 . . . . 74.23 109.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.62 -175.16 18.13 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 110.867 -0.893 . . . . 73.33 110.867 172.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.626 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 53.4 tptt -167.68 111.36 0.66 Allowed 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.624 0.37 . . . . 75.21 110.416 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.41 118.52 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.927 -1.138 . . . . 71.33 107.927 170.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.435 HG21 ' HG3' ' A' ' 3' ' ' LYS . 77.5 t -119.74 134.44 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.551 0.741 . . . . 74.42 109.5 175.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' HB3' HG21 ' A' ' 30' ' ' THR . 81.5 t80 -107.86 117.29 33.73 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.007 -0.738 . . . . 73.01 109.007 165.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 58.9 tp -102.78 138.07 40.15 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.78 -0.822 . . . . 73.52 108.78 172.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB3' HG12 ' A' ' 14' ' ' ILE . 40.1 t -156.31 161.6 40.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.488 0.715 . . . . 70.43 109.575 172.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.568 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 34.6 t70 -99.85 -29.71 12.45 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.489 0.661 . . . . 73.52 110.148 174.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.44 116.08 21.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.681 -1.145 . . . . 74.55 109.003 -171.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -54.39 -49.37 70.05 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.819 0.847 . . . . 74.52 112.942 -172.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.86 -54.62 42.38 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.916 0.76 . . . . 65.01 110.237 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 HD12 HG22 ' A' ' 104' ' ' VAL . 29.9 mm -46.55 -49.08 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 124.723 1.264 . . . . 74.34 113.294 176.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' HB3' ' A' ' 8' ' ' SER . 68.0 mt -57.21 -47.16 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.161 0.584 . . . . 74.51 110.205 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.13 -27.27 62.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.999 0.92 . . . . 73.11 112.199 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.598 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 10.7 mm-40 -74.6 -44.01 52.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.451 0.7 . . . . 75.3 110.928 -178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 108' ' ' VAL . 97.0 t -75.32 -33.16 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.382 -0.826 . . . . 75.1 110.47 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -68.38 -42.59 78.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.126 0.57 . . . . 74.3 110.717 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -60.3 -46.87 88.34 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.411 -0.589 . . . . 73.23 109.411 175.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 28.5 ttmt -67.37 -29.04 68.46 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.661 -0.699 . . . . 71.32 111.718 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.89 99.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.481 0.313 . . . . 74.11 110.251 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.54 -50.02 60.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.013 0.525 . . . . 74.42 111.253 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.52 -48.25 77.63 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.466 1.106 . . . . 75.31 112.035 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -81.33 -20.07 41.48 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.303 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.32 6.29 68.83 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-O 119.633 -0.537 . . . . 74.01 113.189 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.69 129.15 38.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.557 0.743 . . . . 74.45 110.226 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -79.12 89.39 4.83 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.492 -0.929 . . . . 72.51 108.492 168.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.2 116.89 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.142 -0.688 . . . . 75.43 109.142 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.45 107.46 8.73 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.738 -0.838 . . . . 74.32 108.738 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.434 HG21 ' HB3' ' A' ' 6' ' ' PHE . 10.8 p -97.39 126.66 42.77 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.277 0.631 . . . . 71.25 109.54 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -148.35 159.34 44.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.173 0.589 . . . . 65.01 111.124 -167.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.568 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -114.52 -9.19 12.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.388 1.075 . . . . 71.23 109.073 170.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 37' ' ' ILE . 11.0 m-20 -77.28 77.54 3.81 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.721 0.808 . . . . 74.03 110.027 -176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HZ2' ' HB3' ' A' ' 58' ' ' SER . 18.8 ptpt -59.87 -36.34 76.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.71 0.804 . . . . 70.4 109.915 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.93 -44.24 90.13 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.029 0.932 . . . . 72.32 110.965 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 25.4 tt0 -63.52 -45.05 92.42 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.629 0.581 . . . . 73.21 109.762 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 33' ' ' ASP . 36.1 mm -64.25 -41.66 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.749 -0.66 . . . . 74.22 111.187 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.6 mt -58.21 -40.59 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.717 0.807 . . . . 74.53 110.339 174.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.85 -40.46 91.73 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.439 1.096 . . . . 72.24 111.193 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 23.9 mtp180 -73.13 -28.49 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.243 0.617 . . . . 73.44 110.685 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 46' ' ' ILE . 76.4 mt -73.36 -29.4 62.62 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.756 0.822 . . . . 75.23 110.738 173.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 97.1 mttt -66.55 -29.79 69.95 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.139 0.576 . . . . 75.1 110.592 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -81.56 -16.85 50.4 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.36 -0.836 . . . . 74.4 110.665 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.627 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 66.34 20.78 11.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.779 1.231 . . . . 72.22 111.319 -174.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.36 1.01 34.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.012 0.925 . . . . 72.24 112.479 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.626 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 66.3 mt -111.4 123.35 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 71.03 109.151 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.52 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 14.4 t70 -84.07 -36.36 23.1 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.817 0.847 . . . . 74.34 111.46 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.593 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 17.9 ptm -153.79 144.76 22.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.601 -0.727 . . . . 75.12 110.084 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.6 tt -142.88 145.13 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.495 0.718 . . . . 74.3 110.593 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.52 HD12 HG13 ' A' ' 108' ' ' VAL . 62.1 mt -128.31 122.54 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 108.088 -1.079 . . . . 74.41 108.088 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 62' ' ' ILE . 62.1 t -115.37 122.1 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.964 0.906 . . . . 63.33 110.347 -175.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.7 111.69 20.95 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.649 0.78 . . . . 73.44 110.036 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -170.48 166.13 8.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.293 1.037 . . . . 70.34 108.936 172.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -104.27 1.3 30.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.07 0.548 . . . . 72.35 110.142 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.24 88.84 1.52 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.748 -1.205 . . . . 75.54 107.748 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG2' HG22 ' A' ' 82' ' ' ILE . 53.9 mtpt -56.35 -34.12 66.32 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.485 1.114 . . . . 73.22 112.874 -176.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 44.5 mt-10 -63.09 -50.14 71.72 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.955 0.784 . . . . 74.34 110.614 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.477 ' HB3' ' HZ2' ' A' ' 34' ' ' LYS . 88.4 p -66.51 -47.24 73.6 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.438 0.461 . . . . 74.14 110.798 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 75' ' ' ILE . 86.4 mt -49.32 -51.36 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.131 0.894 . . . . 74.43 110.014 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -56.0 -47.96 76.78 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.445 -1.252 . . . . 75.03 111.902 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 13.8 mm-40 -61.84 -49.3 76.83 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.59 0.556 . . . . 72.22 110.963 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.461 HG23 HG23 ' A' ' 51' ' ' VAL . 1.9 mp -54.01 -48.11 64.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 O-C-N 123.919 0.762 . . . . 73.1 110.752 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.8 mt -61.22 -42.1 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 122.672 0.389 . . . . 73.24 110.92 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.15 -41.61 79.48 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.245 0.618 . . . . 74.51 110.285 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 7.3 mm100 -65.97 -40.04 90.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.265 -0.88 . . . . 73.43 110.602 176.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' A' ' 73' ' ' VAL . 98.5 t -73.65 -26.51 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.789 0.836 . . . . 73.32 111.832 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 93.3 mt -65.83 -42.11 90.97 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.583 -0.895 . . . . 73.33 108.583 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.03 -32.46 67.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.518 -1.219 . . . . 74.23 110.865 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.627 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 9.5 t -82.36 -35.28 27.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.563 0.745 . . . . 63.33 111.735 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.71 27.48 58.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 116.062 -0.517 . . . . 62.42 113.508 -174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -87.53 162.41 17.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.538 0.735 . . . . 71.3 111.445 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.593 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.9 mppt? -83.79 111.17 18.95 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.151 -0.685 . . . . 75.1 109.151 173.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.722 HG13 HG22 ' A' ' 93' ' ' VAL . 5.4 p -112.26 129.35 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.164 0.586 . . . . 74.13 111.137 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.0 tp -115.81 123.29 47.82 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.497 -0.927 . . . . 73.21 108.497 171.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.528 ' HB ' HG23 ' A' ' 95' ' ' THR . 42.1 mm -102.69 126.73 56.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 123.461 0.704 . . . . 75.23 109.31 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -123.56 132.96 54.03 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 124.82 1.248 . . . . 73.21 108.181 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -151.29 148.14 27.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 73.32 108.096 175.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -68.1 -16.24 63.93 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.069 0.548 . . . . 74.5 111.224 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -112.42 128.74 56.4 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.097 0.559 . . . . 65.42 111.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.475 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 12.5 pt-20 -80.84 -11.94 59.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.962 0.905 . . . . 64.11 112.851 -175.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -84.16 -31.39 25.18 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.102 -0.703 . . . . 62.22 109.102 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.415 HG22 ' HG2' ' A' ' 56' ' ' LYS . 71.8 mt -65.57 -47.75 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.804 -0.813 . . . . 72.42 108.804 167.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.546 HG21 ' HB ' ' A' ' 95' ' ' THR . 24.8 mm -56.2 -39.98 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.416 -0.811 . . . . 74.53 111.395 174.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.67 -41.05 84.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.293 0.637 . . . . 75.12 111.169 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.8 m -58.56 -40.14 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.428 0.632 . . . . 74.1 110.664 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.422 HG23 HG11 ' A' ' 93' ' ' VAL . 33.2 mm -70.94 -36.08 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 114.74 -1.118 . . . . 71.45 110.946 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.01 -44.2 89.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.174 0.589 . . . . 74.51 111.859 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.89 -34.49 29.96 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.707 0.403 . . . . 71.03 111.769 -170.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.2 -33.59 59.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.707 0.403 . . . . 74.41 111.002 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.542 ' O ' HG13 ' A' ' 93' ' ' VAL . 21.7 m-85 -129.55 91.93 39.48 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.42 -0.956 . . . . 74.45 108.42 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.19 -25.66 36.9 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.216 1.944 . . . . 73.43 114.478 -175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -97.95 13.61 30.17 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.948 0.721 . . . . 75.24 112.948 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.722 HG22 HG13 ' A' ' 73' ' ' VAL . 13.0 p -90.79 142.36 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 109.874 -0.417 . . . . 75.3 109.874 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -83.24 127.53 33.71 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.273 -1.01 . . . . 74.1 108.273 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.546 ' HB ' HG21 ' A' ' 83' ' ' ILE . 68.3 p -132.49 156.95 45.85 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.105 0.562 . . . . 73.21 110.686 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -160.2 132.35 6.23 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.33 -0.989 . . . . 75.45 108.33 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.55 120.17 22.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.607 -0.886 . . . . 74.23 108.607 170.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.63 106.75 5.73 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.671 -1.233 . . . . 71.2 107.671 -172.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -93.72 -46.68 7.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.576 0.75 . . . . 71.42 110.177 -170.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 145.35 32.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.851 -1.068 . . . . 73.43 109.869 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.528 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 53.8 pttt -64.77 -28.92 69.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.885 0.874 . . . . 75.11 111.688 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -66.28 -41.76 89.39 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.634 -0.712 . . . . 73.43 110.235 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.88 -32.3 72.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.841 0.856 . . . . 73.53 112.321 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.472 HG22 HD12 ' A' ' 13' ' ' ILE . 80.6 t -72.44 -53.79 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.835 0.454 . . . . 64.31 110.752 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.5 pttt -66.21 -29.31 69.54 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.028 0.205 . . . . 74.12 110.863 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.17 -47.62 85.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.929 0.891 . . . . 74.31 111.182 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.61 81.04 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.347 0.659 . . . . 61.21 111.297 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.52 HG13 HD12 ' A' ' 50' ' ' ILE . 82.6 t -65.15 -59.2 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.466 -0.788 . . . . 74.21 109.676 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 26.3 tt0 -47.82 -48.94 30.4 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.498 1.519 . . . . 73.41 111.629 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.58 -50.45 71.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 113.792 -1.549 . . . . 73.41 111.212 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -57.03 -32.7 66.44 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.326 1.05 . . . . 72.11 111.348 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 40.4 mt -78.38 -39.27 39.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.22 -0.9 . . . . 73.43 111.529 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.477 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 65.4 mttm -71.71 -28.48 63.72 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.767 0.427 . . . . 74.34 111.034 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.76 8.01 39.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.131 0.973 . . . . 75.01 111.204 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.96 -64.9 3.56 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 116.406 -0.361 . . . . 65.22 112.749 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.529 ' HA3' ' HG2' ' A' ' 72' ' ' LYS . . . -175.87 44.16 0.12 Allowed Glycine 0 C--N 1.339 0.716 0 N-CA-C 111.99 -0.444 . . . . 71.13 111.99 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.0 p -159.54 131.64 6.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.409 0.684 . . . . 74.0 109.835 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.9 -14.6 59.49 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 119.686 -0.197 . . . . 74.32 111.068 171.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.05 103.64 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 108.319 -0.993 . . . . 73.4 108.319 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -68.9 144.69 54.13 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.818 -1.083 . . . . 74.13 111.454 -166.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -83.61 63.71 7.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.947 0.879 . . . . 74.41 109.235 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -91.89 74.0 5.67 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 114.636 -1.165 . . . . 71.21 109.125 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -94.29 -21.92 18.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.314 -0.857 . . . . 75.11 110.64 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.15 120.68 16.21 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.726 -0.472 . . . . 74.33 109.726 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.1 m80 . . . . . 0 C--O 1.253 1.237 0 N-CA-C 108.218 -1.03 . . . . 74.4 108.218 176.744 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.414 -0.587 . . . . 71.13 109.414 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.32 40.37 1.78 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 111.366 -0.694 . . . . 71.22 111.366 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' HA ' ' HZ3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -80.76 108.8 14.73 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.363 1.065 . . . . 75.42 111.39 -176.33 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -92.59 134.02 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.148 -1.056 . . . . 70.04 108.148 164.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 29' ' ' GLN . 58.4 t -126.78 126.91 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.266 0.626 . . . . 74.22 109.437 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB3' HG23 ' A' ' 30' ' ' THR . 66.0 t80 -102.17 113.89 27.55 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.879 0.472 . . . . 74.24 110.473 174.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HB3' HG23 ' A' ' 51' ' ' VAL . 58.6 tp -95.97 147.27 23.86 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.116 -1.068 . . . . 74.23 108.116 166.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 43.6 t -154.35 171.66 18.93 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.011 0.524 . . . . 63.33 110.177 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.87 -35.25 6.7 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.814 1.246 . . . . 73.14 110.211 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.496 ' HB2' HG12 ' A' ' 13' ' ' ILE . 1.1 m-20 -94.71 130.79 41.07 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 73.41 109.517 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -65.19 -39.9 93.5 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.895 0.878 . . . . 72.14 111.79 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -50.5 -52.9 34.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.16 0.984 . . . . 64.52 110.952 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.626 HD12 HG23 ' A' ' 104' ' ' VAL . 32.5 mm -53.7 -50.95 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 114.298 -1.319 . . . . 71.35 111.944 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.427 HG22 ' HB ' ' A' ' 30' ' ' THR . 78.8 mt -54.52 -45.93 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.951 0.9 . . . . 74.43 110.575 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.5 -31.21 68.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.057 -0.974 . . . . 60.22 111.98 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 72.2 mm-40 -74.29 -38.66 63.32 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.823 0.449 . . . . 75.1 111.982 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.9 t -71.19 -36.49 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 122.841 0.456 . . . . 73.43 110.252 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -69.6 -35.94 75.75 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.462 0.705 . . . . 71.34 111.116 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -59.87 -51.99 67.35 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.434 1.094 . . . . 74.51 110.633 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 26.0 ttmt -69.96 -33.05 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.699 -0.682 . . . . 74.51 111.09 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -61.9 -37.21 83.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.747 0.419 . . . . 74.42 111.135 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.83 -54.67 17.22 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.981 0.912 . . . . 73.14 110.357 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.86 -37.12 86.21 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.102 0.961 . . . . 74.03 112.357 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -91.36 -9.27 45.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.662 0.785 . . . . 71.55 112.165 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.56 69.63 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.138 0.274 . . . . 52.4 113.498 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.8 m-85 -77.68 135.44 38.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.37 0.668 . . . . 74.3 111.252 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 101.99 7.88 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.465 -0.939 . . . . 64.13 108.465 166.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 21' ' ' ALA . 34.4 mt -135.38 137.28 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 108.831 -0.803 . . . . 64.25 108.831 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.524 ' HG2' HH22 ' A' ' 40' ' ' ARG . 6.7 tp-100 -107.19 114.36 28.35 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.35 -0.982 . . . . 74.33 108.35 171.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 6' ' ' PHE . 26.2 p -96.5 147.23 24.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.815 0.446 . . . . 74.13 110.752 -174.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.502 ' HB3' HD13 ' A' ' 37' ' ' ILE . 38.4 t -159.48 166.34 31.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.673 0.789 . . . . 63.21 111.165 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -124.87 -5.67 7.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.05 1.34 . . . . 63.42 110.741 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -104.51 111.45 24.13 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.882 -0.512 . . . . 61.35 110.228 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -57.86 -40.81 81.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.1 0.96 . . . . 72.44 112.163 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -80.26 -23.74 40.59 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.871 0.468 . . . . 74.2 110.708 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.7 tp10 -57.29 -55.73 31.0 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.38 -0.971 . . . . 63.04 108.38 167.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 31' ' ' SER . 40.9 mm -63.8 -45.76 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 113.654 -1.612 . . . . 74.45 112.05 -174.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.558 HG22 ' HG3' ' A' ' 65' ' ' GLN . 87.5 mt -57.15 -41.5 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.118 0.967 . . . . 73.13 110.669 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 12.6 t70 -68.74 -33.74 74.44 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 123.708 0.63 . . . . 74.3 110.859 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.524 HH22 ' HG2' ' A' ' 29' ' ' GLN . 19.9 mtp180 -76.88 -29.39 55.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.683 0.793 . . . . 73.53 111.056 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 46' ' ' ILE . 81.5 mt -64.18 -40.1 95.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.595 0.758 . . . . 64.32 109.352 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.434 ' HZ1' ' NE2' ' A' ' 65' ' ' GLN . 63.4 mttm -65.24 -33.68 76.56 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.876 0.87 . . . . 71.12 111.645 175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 93.5 mtt180 -71.13 -11.62 61.04 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.536 0.734 . . . . 74.1 111.114 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 67.35 20.98 9.89 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.283 1.433 . . . . 70.53 110.493 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -23.9 40.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.131 0.972 . . . . 63.11 112.347 -174.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.523 ' HB ' HD22 ' A' ' 41' ' ' LEU . 32.0 mt -100.33 117.16 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.828 -0.434 . . . . 75.01 109.828 -174.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.47 -35.21 17.15 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.2 1.0 . . . . 73.35 111.211 -176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -151.33 144.04 24.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.384 -0.825 . . . . 75.31 109.054 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -142.47 148.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.464 0.706 . . . . 72.14 110.245 -170.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -132.63 120.92 43.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 107.93 -1.137 . . . . 73.01 107.93 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 62' ' ' ILE . 58.8 t -117.65 120.01 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.707 0.803 . . . . 71.23 110.624 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.9 tptp -106.72 105.11 14.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.603 0.761 . . . . 73.13 109.736 174.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -168.68 162.15 11.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.334 0.653 . . . . 71.24 110.444 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -103.12 -4.77 24.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.691 0.797 . . . . 64.15 111.004 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.4 96.72 4.73 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 109.053 -0.721 . . . . 73.41 109.053 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 82' ' ' ILE . 53.7 mtpt -60.61 -28.36 68.45 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.884 -1.053 . . . . 74.53 112.759 -175.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -65.74 -42.64 90.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.887 0.475 . . . . 65.52 110.481 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -63.9 -52.28 60.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.171 0.588 . . . . 74.31 109.709 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.4 mt -53.45 -47.96 58.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 124.799 1.312 . . . . 74.14 110.886 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.0 -54.65 40.31 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.39 1.056 . . . . 73.4 111.073 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.6 -39.77 95.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.681 0.613 . . . . 71.22 112.447 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.537 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -58.8 -55.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 109.555 -0.535 . . . . 71.42 109.555 175.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 HG13 ' A' ' 75' ' ' ILE . 81.4 mt -60.69 -37.37 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 123.901 0.751 . . . . 63.34 110.943 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -57.0 -47.0 81.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.794 0.684 . . . . 72.22 110.234 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.558 ' HG3' HG22 ' A' ' 38' ' ' ILE . 12.9 mm100 -75.41 -17.72 60.11 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.786 0.679 . . . . 64.21 112.264 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.551 HG11 ' HB ' ' A' ' 73' ' ' VAL . 93.2 t -77.37 -34.85 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.308 0.643 . . . . 75.35 109.965 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 84.8 mt -70.29 -35.58 73.8 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.447 -0.946 . . . . 74.5 108.447 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 11.0 t70 -61.93 -39.76 93.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.769 1.227 . . . . 74.51 110.877 170.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.5 m -76.92 -28.14 55.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.99 0.367 . . . . 64.42 111.99 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.55 42.11 93.75 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 111.108 -0.797 . . . . 75.25 111.108 -167.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB2' HG12 ' A' ' 66' ' ' VAL . . . -105.78 173.57 6.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.632 1.173 . . . . 50.13 110.765 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 140.6 29.52 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.876 -0.787 . . . . 74.05 108.876 174.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 93' ' ' VAL . 4.3 p -138.05 133.76 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.511 0.672 . . . . 74.22 111.165 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.556 ' HB3' HG12 ' A' ' 50' ' ' ILE . 26.7 tp -117.46 124.14 48.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.943 1.297 . . . . 74.13 108.021 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 63' ' ' ILE . 48.3 mm -108.02 117.29 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.226 -0.657 . . . . 75.51 109.226 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 82.8 mt -108.02 134.29 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.233 -1.025 . . . . 75.13 108.233 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.8 t -155.6 142.1 18.67 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.762 -0.829 . . . . 71.33 108.762 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.5 m -59.19 -36.87 76.12 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.082 0.864 . . . . 72.34 111.216 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 82' ' ' ILE . 20.5 t70 -90.68 122.54 33.54 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.476 0.71 . . . . 72.13 110.744 -174.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.43 -24.67 61.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.307 1.043 . . . . 64.15 112.255 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -71.94 -35.5 69.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.782 -0.822 . . . . 75.35 108.782 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' O ' HG12 ' A' ' 86' ' ' ILE . 89.5 mt -67.83 -51.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 O-C-N 124.357 1.036 . . . . 72.53 109.523 173.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 mm -51.12 -48.11 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 74.3 112.212 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.35 -27.69 52.78 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.498 -0.773 . . . . 74.45 111.639 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 t -65.74 -40.38 92.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.187 0.517 . . . . 74.23 109.631 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.5 mm -70.5 -32.75 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.988 -1.005 . . . . 73.41 110.647 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -69.96 -44.25 69.88 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.151 0.426 . . . . 71.43 112.151 174.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.36 -32.14 68.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 117.812 0.278 . . . . 74.01 111.214 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.84 -43.45 54.5 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.075 0.55 . . . . 73.24 110.899 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.517 ' O ' HG12 ' A' ' 93' ' ' VAL . 52.3 m-85 -123.3 96.76 43.74 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.469 0.708 . . . . 73.34 109.15 -174.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -60.84 -34.08 91.87 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.501 2.134 . . . . 71.55 113.539 177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.86 -12.86 60.04 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.318 1.229 . . . . 75.55 114.318 -171.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.631 HG21 HG11 ' A' ' 73' ' ' VAL . 10.8 p -83.46 139.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.572 0.624 . . . . 72.14 110.75 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 4.2 mm-40 -88.83 124.36 34.1 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.867 -1.16 . . . . 75.13 107.867 164.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 75' ' ' ILE . 33.5 p -123.01 162.33 22.56 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.096 -0.705 . . . . 75.1 109.096 177.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -159.74 128.77 5.15 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.675 0.274 . . . . 75.12 110.432 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -61.91 116.86 5.22 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.283 0.989 . . . . 72.34 108.639 170.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.32 102.5 4.82 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.529 -1.285 . . . . 75.41 107.529 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.26 -3.42 50.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.193 -0.912 . . . . 64.33 110.814 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.82 153.87 49.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.548 -0.538 . . . . 74.41 109.548 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -68.3 -26.06 65.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.706 1.202 . . . . 74.15 112.289 -176.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 41.5 mt-10 -67.29 -49.78 62.88 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.063 0.852 . . . . 73.41 109.497 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.2 -33.83 71.44 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.592 -1.185 . . . . 73.22 112.151 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.626 HG23 HD12 ' A' ' 13' ' ' ILE . 80.6 t -69.68 -57.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 122.909 0.484 . . . . 75.45 111.229 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.1 pttt -61.93 -34.65 76.46 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.481 0.488 . . . . 73.21 110.991 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -63.57 -46.39 86.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.4 0.68 . . . . 75.55 110.817 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.2 76.99 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.136 0.574 . . . . 73.33 111.004 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 54.9 t -62.22 -52.84 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.155 0.982 . . . . 63.41 109.511 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 86.2 tt0 -56.7 -53.87 52.77 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.969 0.908 . . . . 73.13 111.79 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -35.65 75.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.834 0.854 . . . . 63.42 112.223 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.07 -36.63 75.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.106 0.563 . . . . 72.43 110.394 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 63.3 mt -77.67 -31.59 52.66 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.612 0.765 . . . . 75.43 112.325 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.427 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.4 mttm -68.42 -38.64 81.41 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.006 0.431 . . . . 74.32 110.495 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -85.22 -21.33 29.16 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.616 -0.72 . . . . 74.51 111.528 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.83 -12.51 56.95 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 114.387 0.515 . . . . 52.44 114.387 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.47 36.21 0.05 OUTLIER Glycine 0 C--N 1.345 1.042 0 CA-C-N 117.234 0.517 . . . . 74.11 113.009 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.6 m -151.42 135.2 16.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.541 0.737 . . . . 73.13 109.776 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.21 -179.31 7.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.306 0.642 . . . . 73.54 110.868 172.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.18 65.35 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 114.988 -1.006 . . . . 74.14 109.61 163.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.18 -47.19 72.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 124.357 1.063 . . . . 63.12 110.554 166.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -103.75 55.25 0.74 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.597 0.713 . . . . 72.02 109.301 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -62.63 -32.37 73.39 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 114.802 -1.09 . . . . 71.02 110.426 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -141.31 -174.91 4.15 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 74.03 109.072 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -91.98 148.59 22.08 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.728 0.811 . . . . 75.3 109.863 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.2 m170 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 123.262 0.625 . . . . 73.42 110.072 179.301 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 111.623 0.231 . . . . 74.45 111.623 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.92 93.14 0.26 Allowed Glycine 0 C--N 1.35 1.335 0 N-CA-C 110.914 -0.874 . . . . 73.31 110.914 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.06 104.5 3.03 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 123.366 0.666 . . . . 75.32 111.525 -170.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.35 123.52 39.7 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 N-CA-C 107.327 -1.36 . . . . 74.14 107.327 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 29' ' ' GLN . 71.5 t -126.28 124.69 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.362 0.665 . . . . 64.12 109.653 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -99.03 111.32 23.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.172 -0.677 . . . . 74.12 109.172 170.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD12 HG13 ' A' ' 37' ' ' ILE . 61.9 tp -97.28 139.04 33.84 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 171.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -162.71 161.65 26.46 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.513 0.725 . . . . 75.23 109.848 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -99.54 -31.89 11.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.514 0.726 . . . . 73.31 109.577 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.42 113.74 17.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.3 -1.318 . . . . 75.11 109.326 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -60.86 -52.26 65.8 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.858 0.863 . . . . 74.12 113.01 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.14 -21.28 64.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.768 0.427 . . . . 62.34 111.552 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.558 HG21 ' HG2' ' A' ' 52' ' ' LYS . 24.3 mm -68.02 -51.47 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.555 0.742 . . . . 64.42 109.049 171.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.74 -38.72 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.981 0.913 . . . . 74.12 111.359 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.55 -40.25 92.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.672 0.789 . . . . 73.41 111.412 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 8.6 mm-40 -74.49 -32.5 62.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.659 0.784 . . . . 74.31 112.124 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.48 -35.43 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.002 0.521 . . . . 63.24 110.604 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 t -66.86 -35.59 80.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.598 0.759 . . . . 61.11 109.855 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.6 tppt? -67.96 -47.64 68.08 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.494 -0.775 . . . . 75.34 110.001 174.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.7 -43.16 89.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.613 0.765 . . . . 72.53 111.221 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' ' 28' ' ' ILE . . . -60.08 -46.14 90.56 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.108 -0.951 . . . . 64.12 110.587 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.93 -45.49 92.24 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.737 0.815 . . . . 74.01 111.415 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 mm-40 -60.68 -43.04 98.19 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 72.01 112.187 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -82.86 -20.27 35.87 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.13 0.419 . . . . 75.41 112.13 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.31 37.6 20.63 Favored Glycine 0 CA--C 1.534 1.243 0 O-C-N 123.185 0.303 . . . . 73.44 113.249 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.88 138.34 31.5 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.05 0.94 . . . . 73.0 110.692 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -86.01 86.78 7.35 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.076 -0.712 . . . . 75.32 109.076 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.469 HD13 ' HB2' ' A' ' 21' ' ' ALA . 40.1 mt -109.85 125.09 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.154 -0.684 . . . . 61.04 109.154 176.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.498 ' HB3' HG22 ' A' ' 5' ' ' VAL . 26.5 tp60 -87.44 109.42 19.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.437 -0.949 . . . . 75.01 108.437 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -95.75 125.42 40.31 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.365 -0.606 . . . . 65.12 109.365 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -142.05 154.4 44.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.932 0.893 . . . . 75.14 110.287 -171.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -110.54 -38.23 5.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.114 0.966 . . . . 74.11 110.321 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.23 102.92 8.82 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.937 0.399 . . . . 73.32 110.246 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -69.09 -25.97 64.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.682 0.793 . . . . 74.3 111.762 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.19 -39.72 93.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.59 0.756 . . . . 74.31 110.884 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 36.5 tt0 -59.86 -48.66 80.78 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.171 -0.922 . . . . 73.02 109.8 172.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 7' ' ' LEU . 46.0 mm -64.56 -38.32 82.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.44 -1.255 . . . . 75.54 112.145 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.01 -42.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.175 0.99 . . . . 75.45 110.002 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 27.7 t70 -70.07 -32.85 71.15 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.886 -1.052 . . . . 62.24 110.889 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.3 mtp180 -73.68 -31.5 63.47 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.636 0.374 . . . . 63.22 110.673 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -67.72 -32.6 73.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.064 0.546 . . . . 74.31 109.939 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.76 -36.61 84.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.89 0.476 . . . . 75.05 111.022 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 83.5 mtt180 -71.6 -12.56 61.42 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.415 0.686 . . . . 72.35 111.056 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 65.07 19.56 11.84 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.78 1.232 . . . . 72.35 109.224 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -68.18 -30.62 69.76 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.051 1.74 . . . . 74.43 111.548 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 49' ' ' ILE . 41.5 mt -101.43 120.53 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.433 0.693 . . . . 73.44 109.712 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -81.01 -42.21 21.5 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.949 0.499 . . . . 73.33 110.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ptm -148.84 139.01 22.3 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.456 -0.793 . . . . 73.01 109.418 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.481 ' HB ' HG23 ' A' ' 46' ' ' ILE . 10.4 tt -137.94 146.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.241 0.616 . . . . 71.33 110.805 -169.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 108' ' ' VAL . 69.0 mt -130.12 113.5 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.533 1.133 . . . . 74.43 108.401 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 62' ' ' ILE . 47.0 t -108.82 111.37 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.696 0.798 . . . . 72.54 109.895 -176.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.558 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.9 tptp -101.34 109.62 21.49 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.827 -0.805 . . . . 72.43 108.827 173.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' SER . 8.5 t -155.1 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.453 -0.943 . . . . 74.35 108.453 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -139.98 22.21 2.45 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.07 0.548 . . . . 65.31 110.078 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.45 114.42 22.85 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.138 -0.69 . . . . 74.54 109.138 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 82' ' ' ILE . 35.4 mtmm -58.72 -36.67 74.67 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.959 1.304 . . . . 73.43 113.497 -174.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.1 -30.63 60.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.734 0.414 . . . . 74.32 111.095 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -68.5 -44.8 73.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.997 0.519 . . . . 73.25 109.784 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.463 HG23 HD12 ' A' ' 75' ' ' ILE . 91.9 mt -56.42 -49.94 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 114.586 -1.188 . . . . 72.21 110.215 176.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -57.82 -43.04 85.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.527 -1.215 . . . . 63.44 111.741 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -60.87 -47.78 84.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.932 0.493 . . . . 73.21 111.798 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.543 HG21 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -61.23 -48.16 90.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 123.494 0.497 . . . . 62.22 109.996 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 56.0 mt -55.25 -47.78 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.743 0.652 . . . . 71.31 110.791 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.73 -46.99 74.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.133 0.973 . . . . 74.13 111.558 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -64.18 -41.03 97.29 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 123.969 0.793 . . . . 75.03 111.412 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.541 HG12 ' HB3' ' A' ' 71' ' ' ALA . 69.2 t -69.42 -34.74 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.662 0.785 . . . . 73.04 111.452 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 81.1 mt -64.25 -41.57 96.89 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.228 -0.656 . . . . 73.4 109.228 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.89 -40.87 91.97 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.422 -1.263 . . . . 75.23 111.304 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -87.76 -12.74 44.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.816 0.446 . . . . 72.21 112.044 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.5 77.93 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 123.584 0.553 . . . . 73.22 113.596 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.541 ' HB3' HG12 ' A' ' 66' ' ' VAL . . . -82.57 166.15 19.48 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.278 0.631 . . . . 71.01 110.396 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -86.34 138.03 32.13 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.039 -1.097 . . . . 72.24 108.039 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.779 HG12 HG22 ' A' ' 93' ' ' VAL . 4.3 p -140.38 135.14 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 121.218 0.532 . . . . 72.4 111.205 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD21 HD13 ' A' ' 118' ' ' LEU . 18.1 tp -116.98 117.9 30.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.875 1.27 . . . . 73.41 108.427 172.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.473 ' HB ' HG21 ' A' ' 95' ' ' THR . 40.0 mm -96.56 111.75 27.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.109 0.964 . . . . 75.44 109.356 174.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.05 127.62 52.96 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 75.13 108.669 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 53' ' ' THR . 22.6 m -136.31 143.55 44.23 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.309 -0.626 . . . . 63.15 109.309 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 m -79.36 11.68 2.82 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.55 0.74 . . . . 75.21 112.105 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.11 133.81 25.19 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.302 0.572 . . . . 71.44 110.968 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.01 -35.61 78.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.776 1.23 . . . . 75.24 112.188 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -70.28 -37.58 74.87 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 56' ' ' LYS . 62.4 mt -63.91 -48.9 84.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 115.482 -0.781 . . . . 60.44 109.65 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 31.6 mm -56.42 -42.46 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 123.335 0.397 . . . . 75.33 110.783 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -59.41 -46.01 89.9 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.543 0.737 . . . . 74.54 111.801 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 p -68.55 -36.59 79.01 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.289 -0.414 . . . . 74.01 111.28 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.5 mm -71.34 -29.85 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 122.452 0.301 . . . . 74.54 110.485 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 30.3 mtm180 -68.85 -45.09 71.98 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.809 0.444 . . . . 70.11 111.666 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.62 -36.88 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.524 0.194 . . . . 61.21 111.524 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.13 -44.99 59.43 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.172 0.51 . . . . 75.43 110.884 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' O ' HG11 ' A' ' 93' ' ' VAL . 35.9 m-85 -127.83 92.09 43.37 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.748 -0.834 . . . . 63.13 108.748 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.13 -20.07 15.02 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 121.951 1.767 . . . . 74.13 112.977 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.83 -15.48 41.79 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.259 0.836 . . . . 75.11 113.259 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.779 HG22 HG12 ' A' ' 73' ' ' VAL . 7.2 p -78.38 141.17 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 CA-C-N 118.422 0.556 . . . . 53.44 109.971 175.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.36 113.98 12.21 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.266 -0.642 . . . . 74.14 109.266 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 75' ' ' ILE . 54.3 p -119.68 136.88 54.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.242 0.617 . . . . 74.51 109.717 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.662 HH11 ' HB3' ' A' ' 107' ' ' ALA . 43.9 ttt180 -144.97 129.54 18.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.721 -0.844 . . . . 73.34 108.721 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 120.14 17.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.999 -0.741 . . . . 73.22 108.999 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.59 118.15 8.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.501 -1.296 . . . . 73.31 107.501 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.65 -59.19 1.78 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.403 0.62 . . . . 75.12 109.464 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.55 157.01 24.94 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.763 -1.108 . . . . 64.01 110.246 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.554 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.1 pttp -55.89 -34.95 66.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.327 1.451 . . . . 71.44 112.916 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.61 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -70.87 -39.61 72.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 123.677 0.61 . . . . 73.42 110.616 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.95 -34.15 76.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.531 0.732 . . . . 64.13 111.287 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG22 HD13 ' A' ' 13' ' ' ILE . 69.5 t -74.77 -51.5 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.949 -0.569 . . . . 72.53 110.976 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.61 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 64.9 pttt -64.57 -34.14 77.56 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.205 0.315 . . . . 74.43 111.313 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.28 -43.54 88.02 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.805 1.242 . . . . 73.1 111.549 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.662 ' HB3' HH11 ' A' ' 96' ' ' ARG . . . -66.97 -38.44 86.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.645 0.778 . . . . 74.12 111.501 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.517 ' HA ' HD11 ' A' ' 50' ' ' ILE . 79.2 t -62.35 -55.03 26.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 123.932 0.893 . . . . 75.02 110.582 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.96 -41.79 71.55 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.494 1.118 . . . . 73.51 111.346 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.76 -47.78 74.05 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.974 0.91 . . . . 72.24 111.461 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -58.41 -37.82 76.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.636 1.174 . . . . 73.13 111.09 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.2 mt -77.63 -44.05 29.49 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.935 -1.03 . . . . 73.34 112.451 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.5 -32.71 70.3 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 111.965 0.358 . . . . 74.21 111.965 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -90.06 22.69 3.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.027 0.531 . . . . 75.14 110.937 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.45 -78.64 1.83 Allowed Glycine 0 C--N 1.353 1.494 0 N-CA-C 112.305 -0.318 . . . . 75.43 112.305 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.56 48.53 0.57 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 111.521 -0.631 . . . . 73.33 111.521 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 65.6 p -161.97 156.48 22.38 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.214 0.605 . . . . 72.22 111.371 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.448 HD13 HD21 ' A' ' 74' ' ' LEU . 1.6 mp -121.58 89.79 3.19 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 106.153 -1.795 . . . . 75.41 106.153 164.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.82 98.86 0.96 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 108.567 -0.901 . . . . 75.14 108.567 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -52.04 -34.89 45.3 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 124.903 1.281 . . . . 72.43 112.633 -166.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -115.41 100.96 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 106.722 -1.584 . . . . 74.2 106.722 165.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -71.79 -156.92 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.358 1.063 . . . . 74.54 111.479 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -52.34 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.111 0.964 . . . . 74.52 111.697 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -142.78 15.28 1.95 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.515 1.526 . . . . 75.31 109.114 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 124.297 1.039 . . . . 75.52 109.065 174.215 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.999 -0.371 . . . . 71.3 109.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.74 89.04 0.07 OUTLIER Glycine 0 C--N 1.35 1.347 0 N-CA-C 111.847 -0.501 . . . . 74.11 111.847 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.59 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 53.4 tptt -150.63 93.26 1.94 Allowed 'General case' 0 C--O 1.24 0.567 0 N-CA-C 107.63 -1.248 . . . . 75.24 107.63 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 t -88.36 119.54 35.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.888 -1.153 . . . . 75.0 107.888 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 29' ' ' GLN . 89.2 t -122.24 111.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 108.797 -0.816 . . . . 74.42 108.797 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 30' ' ' THR . 79.7 t80 -89.41 109.77 20.65 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 173.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.567 ' HB3' HG22 ' A' ' 51' ' ' VAL . 61.0 tp -94.4 140.87 29.25 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.83 -1.174 . . . . 73.34 107.83 170.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.5 t -151.46 164.57 36.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.37 -0.604 . . . . 73.05 109.37 172.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 2.96 12.99 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.807 0.843 . . . . 70.42 109.269 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -126.7 121.72 32.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.734 1.214 . . . . 63.45 109.114 -167.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -65.06 -55.77 16.9 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.1 1.148 . . . . 75.44 114.1 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.76 -38.72 56.64 Favored 'General case' 0 N--CA 1.499 2.017 0 C-N-CA 123.698 0.799 . . . . 74.45 111.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.659 HD13 HG23 ' A' ' 104' ' ' VAL . 40.6 mm -55.28 -55.51 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.975 -1.466 . . . . 75.41 111.214 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.28 -37.17 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.614 1.166 . . . . 71.42 111.179 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -65.42 -37.69 87.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.161 0.984 . . . . 74.51 110.772 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 12.7 mm-40 -80.0 -37.57 33.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.091 -0.959 . . . . 51.4 112.19 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.37 -35.4 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.832 0.453 . . . . 73.22 110.239 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -70.08 -32.42 70.49 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.571 0.748 . . . . 74.21 110.5 175.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -60.97 -54.72 41.49 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.526 0.73 . . . . 74.22 109.915 172.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -56.12 -44.95 79.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.525 1.13 . . . . 73.4 111.301 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB3' HD11 ' A' ' 28' ' ' ILE . . . -66.06 -37.92 87.05 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.132 -0.94 . . . . 75.14 111.731 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.7 -49.48 46.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.738 0.415 . . . . 74.02 110.809 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.56 -50.13 72.79 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.76 0.824 . . . . 73.11 111.662 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -83.35 -14.72 52.25 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.576 -0.738 . . . . 73.42 111.839 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.93 18.57 72.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.254 0.346 . . . . 42.04 113.526 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -67.27 121.5 15.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.715 0.806 . . . . 75.32 110.25 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.47 105.9 10.05 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.983 -0.747 . . . . 74.12 108.983 172.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 21' ' ' ALA . 53.5 mt -133.69 126.32 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.121 0.969 . . . . 74.5 109.113 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 5' ' ' VAL . 21.5 tp60 -83.1 108.83 16.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.087 -0.709 . . . . 75.52 109.087 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 21.4 p -98.16 126.63 43.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.394 -0.595 . . . . 71.3 109.394 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 m -150.27 165.25 33.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.921 0.888 . . . . 71.14 110.354 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -116.79 -22.12 8.71 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.9 0.88 . . . . 74.41 110.552 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.2 m-20 -68.63 86.07 0.31 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.367 0.667 . . . . 74.11 109.736 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HZ3' ' HB3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -61.81 -32.88 73.21 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.92 0.488 . . . . 72.41 109.723 -178.463 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -62.24 -42.32 99.21 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.435 1.094 . . . . 74.21 111.495 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.8 tt0 -65.08 -45.6 84.59 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.872 0.732 . . . . 64.5 110.063 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 33' ' ' ASP . 37.2 mm -68.96 -37.13 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.62 -0.263 . . . . 73.42 111.363 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 42' ' ' LYS . 96.4 mt -60.14 -40.12 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.11 0.964 . . . . 74.35 109.492 171.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 13.9 t70 -63.91 -37.61 88.02 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.67 1.188 . . . . 75.2 111.233 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 25.6 mtp180 -77.07 -28.96 54.85 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.726 0.81 . . . . 74.4 110.853 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD21 ' HB ' ' A' ' 46' ' ' ILE . 79.6 mt -68.95 -33.14 73.22 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.901 0.88 . . . . 70.0 110.258 171.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 38' ' ' ILE . 99.0 mttt -66.2 -32.49 73.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.412 0.685 . . . . 75.02 110.614 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 77.4 mtt180 -74.54 -9.67 58.8 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.498 0.719 . . . . 72.51 111.125 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 65.96 17.72 10.88 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.028 1.331 . . . . 74.35 110.8 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.26 -26.66 47.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.53 1.132 . . . . 74.04 111.579 -168.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 41' ' ' LEU . 53.8 mt -91.56 124.9 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.134 -0.939 . . . . 74.25 109.463 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.59 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 13.9 t70 -87.14 -38.82 16.08 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.161 0.984 . . . . 62.45 110.22 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 ptp -151.03 146.2 26.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.971 -1.013 . . . . 73.01 109.436 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.0 tt -140.15 140.93 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.622 0.769 . . . . 71.14 109.23 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.414 HG23 HG21 ' A' ' 108' ' ' VAL . 46.8 mt -129.27 111.88 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.361 -0.977 . . . . 74.03 108.361 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 7' ' ' LEU . 46.1 t -111.45 117.19 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.441 0.697 . . . . 72.22 111.051 -174.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.3 tptp -101.84 109.56 21.34 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.9 0.88 . . . . 74.4 108.941 169.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -166.56 157.04 12.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.546 0.738 . . . . 73.44 109.343 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -93.59 -6.96 45.38 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.793 0.837 . . . . 72.43 109.928 173.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.04 94.09 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.881 -1.155 . . . . 74.25 107.881 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -57.05 -33.13 66.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.921 1.289 . . . . 74.02 112.965 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -75.08 -32.02 61.37 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.191 0.596 . . . . 72.22 110.687 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 t -63.01 -54.12 43.33 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.53 -0.915 . . . . 71.54 108.53 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.21 -48.79 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.926 1.391 . . . . 74.01 110.612 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.6 t -54.15 -55.84 23.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 73.45 111.454 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 42.7 mm-40 -62.52 -43.32 99.09 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.755 0.66 . . . . 65.1 111.802 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.505 HG21 HG23 ' A' ' 51' ' ' VAL . 1.7 mp -53.6 -56.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 O-C-N 123.958 0.787 . . . . 73.34 110.029 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.533 HD12 HG13 ' A' ' 75' ' ' ILE . 75.5 mt -60.7 -40.83 86.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 124.045 0.84 . . . . 74.13 110.395 -174.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -54.04 -47.88 71.12 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.808 0.843 . . . . 75.34 110.952 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm100 -62.39 -42.17 99.22 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.646 0.591 . . . . 73.53 110.559 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG12 ' HB1' ' A' ' 71' ' ' ALA . 81.3 t -62.97 -38.28 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.751 1.22 . . . . 74.41 111.571 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 77.6 mt -67.1 -29.52 69.29 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.632 0.773 . . . . 62.21 110.945 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.61 -41.5 23.85 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.466 -0.788 . . . . 75.21 110.584 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.2 m -78.88 -12.66 60.04 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.031 0.752 . . . . 65.23 113.031 -169.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.77 52.51 28.87 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.644 -0.583 . . . . 61.43 111.644 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB1' HG12 ' A' ' 66' ' ' VAL . . . -124.75 171.45 10.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.347 1.059 . . . . 73.23 110.182 -175.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HG2' ' HA2' ' A' ' 116' ' ' GLY . 3.5 mppt? -96.16 149.22 21.88 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.555 -0.906 . . . . 75.22 108.555 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.572 HG12 HG22 ' A' ' 93' ' ' VAL . 5.8 p -142.3 131.95 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.13 0.572 . . . . 74.35 110.357 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 45.9 tp -120.11 117.68 28.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.712 1.205 . . . . 73.35 108.48 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.533 HG13 HD12 ' A' ' 63' ' ' ILE . 46.5 mm -106.22 123.22 60.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 123.204 0.602 . . . . 72.3 109.673 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 mt -117.63 132.96 56.42 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.999 1.319 . . . . 72.41 107.86 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.0 t -156.87 151.53 25.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.704 . . . . 74.14 109.12 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.3 p -95.64 9.7 39.35 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.249 1.02 . . . . 72.55 111.515 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB3' HD13 ' A' ' 82' ' ' ILE . 16.6 t70 -118.81 128.53 54.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.842 0.457 . . . . 75.44 110.607 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.82 -51.24 66.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.88 1.272 . . . . 72.43 112.234 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.57 -37.36 85.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.639 0.775 . . . . 74.2 110.179 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.503 ' O ' HG12 ' A' ' 86' ' ' ILE . 71.1 mt -68.23 -55.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 115.192 -0.913 . . . . 71.25 110.315 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 29.1 mm -51.3 -48.97 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 123.961 0.788 . . . . 64.13 110.475 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -57.8 -48.72 78.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.239 0.962 . . . . 75.15 111.585 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.4 m -56.02 -45.52 79.09 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.923 0.764 . . . . 75.42 110.937 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 82' ' ' ILE . 23.4 mm -66.64 -34.28 69.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-N 115.496 -0.775 . . . . 74.53 111.191 -175.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 60.0 mtm180 -67.03 -55.83 12.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 120.868 0.366 . . . . 70.34 110.771 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 60.5 pttt -72.41 -24.34 61.22 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.11 -0.496 . . . . 73.35 112.182 -170.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -80.49 -42.08 23.16 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.077 0.551 . . . . 71.5 111.128 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.488 ' O ' HG13 ' A' ' 93' ' ' VAL . 68.2 m-85 -120.6 108.23 37.65 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 123.063 0.545 . . . . 74.05 110.548 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.42 -29.01 11.61 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.573 2.182 . . . . 73.51 113.318 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -78.47 -15.24 58.84 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.179 0.807 . . . . 74.25 113.179 -175.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.572 HG22 HG12 ' A' ' 73' ' ' VAL . 11.2 p -81.39 137.02 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.648 0.261 . . . . 74.41 110.726 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 66.0 mm-40 -85.92 129.44 34.83 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 107.604 -1.258 . . . . 75.42 107.604 162.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.425 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.0 p -122.83 154.08 38.73 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.949 -0.76 . . . . 63.22 108.949 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.477 ' HD3' ' HB3' ' A' ' 107' ' ' ALA . 69.6 ttt180 -151.37 122.88 7.9 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.319 -1.363 . . . . 75.44 107.319 170.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -66.15 125.15 24.62 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.584 -0.895 . . . . 73.11 108.584 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.15 104.12 4.58 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.497 -0.927 . . . . 53.31 108.497 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -88.83 -20.82 24.17 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.815 -1.084 . . . . 70.35 109.859 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -106.31 136.56 45.82 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.578 0.751 . . . . 72.12 109.628 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.489 ' HB3' HD12 ' A' ' 13' ' ' ILE . 43.9 pttt -61.59 -20.54 63.43 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.973 1.309 . . . . 71.33 111.906 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 22.5 mt-10 -65.4 -47.08 77.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.457 1.103 . . . . 63.23 109.411 172.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -70.3 -30.39 67.37 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.093 -1.412 . . . . 74.1 112.34 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.659 HG23 HD13 ' A' ' 13' ' ' ILE . 86.3 t -66.72 -54.42 25.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 122.893 0.477 . . . . 72.31 110.313 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.2 pttt -65.3 -32.48 74.16 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.113 0.258 . . . . 75.53 111.507 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.9 -42.69 99.87 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.763 0.825 . . . . 71.45 110.662 173.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 96' ' ' ARG . . . -63.61 -38.9 92.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.539 0.736 . . . . 65.04 111.251 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.414 HG21 HG23 ' A' ' 50' ' ' ILE . 85.5 t -61.52 -51.31 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.3 1.04 . . . . 73.13 110.587 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.473 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 43.2 tt0 -61.06 -47.07 88.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.563 0.745 . . . . 75.5 111.256 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -67.71 -27.38 66.76 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.72 0.808 . . . . 71.02 111.552 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.408 ' HZ ' ' HB3' ' A' ' 72' ' ' LYS . 47.5 t80 -69.86 -38.51 76.45 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.221 1.008 . . . . 75.14 109.37 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 99.1 mt -79.35 -29.71 42.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.878 -1.056 . . . . 75.22 113.042 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.473 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 98.9 mttt -66.62 -36.57 82.9 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.984 0.513 . . . . 75.02 110.794 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.87 -22.17 37.06 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.209 -0.905 . . . . 75.42 110.17 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.34 34.85 91.02 Favored Glycine 0 C--N 1.356 1.681 0 O-C-N 123.858 0.724 . . . . 64.53 112.996 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.439 ' HA2' ' HG2' ' A' ' 72' ' ' LYS . . . 170.1 -120.81 0.88 Allowed Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.157 -1.177 . . . . 63.44 110.157 -175.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -58.76 159.46 6.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.8 0.84 . . . . 64.31 112.018 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.97 -26.16 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 120.693 0.282 . . . . 75.32 111.3 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.62 147.72 43.26 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.43 0.633 . . . . 74.42 111.253 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -131.49 -0.1 4.0 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.198 0.999 . . . . 74.45 109.587 165.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -154.41 118.4 4.71 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.24 1.816 . . . . 73.11 107.336 168.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -70.11 81.9 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.487 -0.931 . . . . 64.34 108.487 168.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -176.74 101.89 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.282 -1.327 . . . . 75.51 109.096 -169.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -90.59 -58.86 2.34 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 106.708 -1.59 . . . . 74.05 106.708 158.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.247 0.933 0 N-CA-C 106.492 -1.67 . . . . 74.02 106.492 166.112 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.264 -0.273 . . . . 62.32 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.63 64.33 3.11 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.849 -0.5 . . . . 72.43 111.849 -175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' HZ3' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -70.01 110.04 4.86 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.934 0.494 . . . . 70.31 110.848 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -100.2 125.71 53.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 115.327 -0.852 . . . . 71.23 109.461 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.4 t -127.24 117.75 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.587 -0.894 . . . . 71.15 108.587 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' HB3' HG22 ' A' ' 30' ' ' THR . 63.9 t80 -89.75 147.01 24.09 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.344 0.592 . . . . 74.52 110.367 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.59 133.09 35.97 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.954 1.301 . . . . 75.33 108.053 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.6 t -144.87 151.38 38.64 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.705 -0.85 . . . . 72.31 108.705 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.62 -11.73 53.19 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 123.741 0.651 . . . . 71.11 109.639 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.45 139.17 51.25 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.863 0.865 . . . . 72.01 111.091 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -65.99 -43.85 86.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.022 1.329 . . . . 74.24 112.99 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.75 -34.51 78.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.618 0.367 . . . . 73.42 110.638 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.51 -45.04 93.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.399 -0.819 . . . . 74.03 110.034 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.519 HG21 ' HB ' ' A' ' 30' ' ' THR . 76.9 mt -52.98 -45.31 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.578 1.151 . . . . 75.41 110.609 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.14 -29.48 62.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.662 0.785 . . . . 74.22 112.381 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 48.9 mm-40 -70.55 -42.03 71.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.036 0.534 . . . . 73.33 111.428 176.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG11 HG11 ' A' ' 108' ' ' VAL . 89.2 t -74.97 -33.66 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.61 0.764 . . . . 71.32 110.79 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 t -64.18 -37.67 88.29 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.433 0.693 . . . . 73.03 109.884 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.0 tppp? -64.83 -49.06 72.11 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.826 -0.624 . . . . 75.53 109.873 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 1.3 tpmt? -55.57 -37.93 68.7 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.673 0.789 . . . . 73.01 111.116 178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.56 85.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.976 -1.011 . . . . 74.0 111.083 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.54 -46.23 80.34 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.446 0.466 . . . . 65.43 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 8.0 mm-40 -56.28 -47.32 78.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.748 0.819 . . . . 74.52 112.342 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 48.3 mm-40 -93.5 -14.19 26.94 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.685 0.624 . . . . 75.31 112.685 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.43 32.31 31.35 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 122.058 -0.115 . . . . 71.2 113.173 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -88.76 133.78 34.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.233 1.013 . . . . 72.41 110.126 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -84.5 91.31 7.82 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.069 0.938 . . . . 71.22 108.866 169.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.75 103.78 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 109.078 -0.712 . . . . 71.2 109.078 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.5 tp-100 -76.31 112.8 13.19 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.519 ' HB ' HG21 ' A' ' 14' ' ' ILE . 53.8 p -97.87 150.17 21.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.978 0.511 . . . . 64.34 110.299 -175.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -154.51 162.43 41.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.441 0.696 . . . . 71.32 110.433 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -105.58 -30.06 9.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.13 0.972 . . . . 64.01 110.19 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.08 104.18 15.44 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.331 0.586 . . . . 65.41 110.139 -173.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -63.73 -27.55 69.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.687 1.195 . . . . 74.32 112.47 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.36 -41.22 80.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.28 0.632 . . . . 72.24 111.123 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -42.91 99.36 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.374 1.07 . . . . 72.2 109.919 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.99 -37.43 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 114.726 -1.124 . . . . 71.21 111.117 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 65' ' ' GLN . 66.6 mt -56.3 -44.57 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.328 0.651 . . . . 75.11 109.909 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 38.3 t70 -66.86 -33.27 75.23 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.708 -0.678 . . . . 64.04 111.466 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -71.28 -34.32 70.56 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 75.25 111.181 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.01 -32.56 73.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.331 0.652 . . . . 73.12 110.45 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -65.96 -30.64 71.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.86 0.864 . . . . 74.31 110.939 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.0 mtt180 -80.92 -13.9 58.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.281 0.632 . . . . 71.21 110.77 173.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.529 ' HG3' ' HB2' ' A' ' 69' ' ' SER . 55.0 ttt-85 62.33 21.89 12.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.519 1.527 . . . . 75.33 111.032 -173.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.73 -24.5 63.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 74.02 111.422 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.45 HG22 ' HB ' ' A' ' 49' ' ' ILE . 32.0 mt -97.25 125.36 50.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.411 -0.959 . . . . 75.31 108.411 -175.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -78.29 -46.53 19.98 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.792 0.806 . . . . 74.23 109.987 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.426 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 11.1 ptm -145.84 129.87 17.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.253 -1.339 . . . . 72.24 109.255 -174.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.45 ' HB ' HG22 ' A' ' 46' ' ' ILE . 4.5 tt -131.66 147.27 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.054 0.942 . . . . 71.41 109.655 -169.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 108' ' ' VAL . 51.4 mt -131.11 126.13 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.99 -1.115 . . . . 75.31 107.99 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.502 HG21 HG22 ' A' ' 62' ' ' ILE . 66.2 t -122.14 111.59 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.237 0.615 . . . . 74.22 109.716 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -101.37 110.36 22.35 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.009 -0.738 . . . . 75.15 109.009 173.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -171.41 160.8 6.18 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.601 0.761 . . . . 71.44 109.615 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.26 -4.61 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.843 0.857 . . . . 74.0 109.782 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.65 93.35 0.7 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.924 -0.769 . . . . 73.5 108.924 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HE2' HG12 ' A' ' 82' ' ' ILE . 95.2 mttt -54.54 -32.16 57.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.618 1.167 . . . . 74.43 112.654 -174.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.69 -41.25 79.45 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.542 0.737 . . . . 74.35 110.758 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -63.55 -52.43 61.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.12 0.568 . . . . 64.33 109.507 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 75' ' ' ILE . 91.5 mt -51.68 -57.18 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 114.464 -1.244 . . . . 74.54 110.642 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.5 t -59.64 -48.91 79.79 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 124.091 0.87 . . . . 73.31 111.557 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.99 -47.95 84.08 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.314 0.646 . . . . 73.12 111.578 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.502 HG22 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.5 -47.01 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.521 0.513 . . . . 73.01 110.076 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.5 HD12 HG13 ' A' ' 75' ' ' ILE . 99.3 mt -57.86 -44.9 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 123.607 0.567 . . . . 73.4 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 60' ' ' SER . 94.0 mttt -55.03 -42.6 72.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.244 0.618 . . . . 74.12 110.479 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 38' ' ' ILE . 16.2 mm100 -72.23 -32.55 66.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.841 -1.072 . . . . 70.22 111.918 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.514 HG13 ' HB ' ' A' ' 73' ' ' VAL . 59.1 t -79.17 -26.77 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 122.672 0.389 . . . . 73.24 110.477 179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.4 -41.83 72.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.012 -0.736 . . . . 74.54 109.012 173.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.8 -41.31 92.09 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.956 -1.02 . . . . 72.5 111.273 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.529 ' HB2' ' HG3' ' A' ' 44' ' ' ARG . 77.9 p -79.88 -22.91 42.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.281 0.232 . . . . 75.04 110.857 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.41 33.02 80.72 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.486 -0.324 . . . . 64.13 112.316 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -91.81 -174.83 3.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.729 0.812 . . . . 74.42 110.902 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 137.46 37.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.173 -0.677 . . . . 75.34 109.173 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.698 HG11 HG21 ' A' ' 93' ' ' VAL . 7.5 p -141.15 139.51 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.041 0.536 . . . . 73.34 111.547 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.92 116.91 27.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.344 1.058 . . . . 75.34 108.938 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.5 HG13 HD12 ' A' ' 63' ' ' ILE . 41.1 mm -95.77 120.68 45.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.988 0.915 . . . . 64.42 109.576 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 104' ' ' VAL . 88.3 mt -115.37 120.56 40.01 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.324 1.05 . . . . 74.44 108.567 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m -142.2 140.63 32.41 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.128 -1.064 . . . . 65.05 108.128 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 m -69.98 -32.93 71.4 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.32 0.648 . . . . 71.22 110.622 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.54 121.97 29.0 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.119 -0.946 . . . . 63.15 111.143 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.45 -30.75 71.78 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.511 1.124 . . . . 74.14 113.148 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -71.56 -32.17 67.79 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.669 -0.493 . . . . 63.52 109.669 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.417 HG12 ' HE2' ' A' ' 56' ' ' LYS . 79.9 mt -67.53 -53.84 28.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 C-N-CA 123.373 0.669 . . . . 63.13 109.218 173.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 38.2 mm -52.82 -46.15 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.928 0.767 . . . . 75.2 110.486 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.14 -51.32 70.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.647 0.779 . . . . 65.15 111.348 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.3 m -54.95 -43.49 73.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.905 0.753 . . . . 75.23 111.633 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 93' ' ' VAL . 45.1 mm -71.8 -32.07 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.266 -0.879 . . . . 74.23 110.779 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 50.9 mtm180 -72.74 -46.8 51.61 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.361 0.264 . . . . 75.41 111.175 176.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.78 -31.25 61.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.571 0.349 . . . . 72.41 111.768 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -85.53 -44.78 12.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.827 0.451 . . . . 64.22 110.669 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.481 ' O ' HG11 ' A' ' 93' ' ' VAL . 21.8 m-85 -114.75 96.3 43.76 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.538 -0.912 . . . . 73.21 108.538 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.73 -37.91 19.62 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.111 1.874 . . . . 70.22 112.741 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -76.09 -2.33 30.33 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.214 1.19 . . . . 75.25 114.214 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.698 HG21 HG11 ' A' ' 73' ' ' VAL . 13.8 p -89.2 147.79 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.054 0.388 . . . . 73.45 110.712 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 2.2 mp0 -85.51 121.11 27.74 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.126 -1.064 . . . . 74.25 108.126 166.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.422 HG21 ' HB ' ' A' ' 75' ' ' ILE . 70.8 p -119.59 156.46 30.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.588 -0.523 . . . . 64.4 109.588 171.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.488 ' NH1' ' HB3' ' A' ' 103' ' ' GLU . 53.0 ttt-85 -156.17 127.63 7.18 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.049 -1.463 . . . . 72.32 107.049 170.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -63.9 118.14 7.98 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.954 -1.128 . . . . 73.44 107.954 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.15 105.03 6.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.979 -1.489 . . . . 74.04 106.979 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.86 -60.34 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.996 0.81 . . . . 64.32 109.006 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.48 158.85 15.81 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.845 -0.616 . . . . 74.45 110.28 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.561 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.8 pttm -53.24 -31.11 41.76 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.158 1.783 . . . . 74.32 112.726 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.62 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.1 pt-20 -65.48 -44.99 85.39 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.413 0.445 . . . . 73.42 109.964 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.488 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 33.5 mt-10 -64.19 -28.72 69.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.459 -0.791 . . . . 74.55 111.672 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.497 ' HA ' HD13 ' A' ' 76' ' ' LEU . 60.3 t -68.26 -58.62 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.745 -0.661 . . . . 73.54 109.932 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.62 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 62.0 pttt -66.98 -33.88 76.54 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.777 0.673 . . . . 64.32 111.689 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 69.6 m-20 -56.89 -53.15 61.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.894 0.478 . . . . 70.01 110.395 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.0 71.97 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.916 0.887 . . . . 74.45 111.597 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 46.6 t -61.67 -51.35 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.909 0.883 . . . . 74.43 110.161 174.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.537 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 27.9 tt0 -60.4 -43.04 97.08 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.825 0.703 . . . . 71.21 109.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 19.9 mm-40 -59.29 -47.7 84.4 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.695 0.798 . . . . 61.24 110.635 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 48' ' ' MET . 70.5 t80 -59.09 -43.07 91.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.645 1.178 . . . . 74.11 111.16 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 21.7 mt -76.95 -38.11 53.96 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.63 -0.714 . . . . 64.13 112.183 -175.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -68.12 -35.57 78.33 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.742 0.417 . . . . 74.33 110.837 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.39 -17.05 56.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.775 -0.648 . . . . 74.45 111.367 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.56 15.72 81.07 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.366 -0.379 . . . . 60.45 112.962 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.29 -96.42 0.18 Allowed Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.13 -0.788 . . . . 52.12 111.13 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.5 t -64.58 110.28 2.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 122.667 0.387 . . . . 61.45 111.432 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.37 177.22 1.97 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.277 0.631 . . . . 75.51 110.494 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -84.52 30.47 0.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.547 0.739 . . . . 65.4 110.767 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -74.8 78.8 2.09 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 122.308 1.052 . . . . 73.44 109.765 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -61.6 136.28 57.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.656 -1.156 . . . . 73.4 109.857 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -59.65 142.72 52.38 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.028 0.83 . . . . 70.15 111.171 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -54.73 -35.19 63.43 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.617 0.767 . . . . 75.25 111.277 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -152.39 158.37 42.57 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.858 1.263 . . . . 75.43 108.801 169.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 67.8 t60 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 118.86 -0.59 . . . . 74.31 109.931 178.417 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 mtt . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.054 -0.721 . . . . 74.52 109.054 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.84 153.24 6.58 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.344 -0.844 . . . . 74.42 111.178 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 2.0 tpmt? -173.45 89.41 0.08 Allowed 'General case' 0 C--O 1.242 0.684 0 N-CA-C 107.118 -1.438 . . . . 73.54 107.118 175.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -85.6 118.74 32.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.82 -1.178 . . . . 74.45 107.82 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 37' ' ' ILE . 87.9 t -121.64 119.74 59.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.28 -0.637 . . . . 72.31 109.28 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -94.7 130.92 41.02 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 171.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -126.45 127.09 44.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.572 -1.27 . . . . 72.44 107.572 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -152.62 152.58 31.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.048 0.452 . . . . 64.2 110.062 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.44 -24.83 24.04 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.089 -0.96 . . . . 74.42 109.708 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.11 135.1 34.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.44 1.096 . . . . 73.32 110.184 -171.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -67.34 -58.53 4.63 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.101 1.148 . . . . 74.3 114.101 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.01 -35.55 78.89 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 118.142 0.428 . . . . 74.24 111.312 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 104' ' ' VAL . 38.9 mm -51.61 -53.44 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 O-C-N 124.599 1.187 . . . . 74.05 111.321 173.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.8 -39.03 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.145 0.578 . . . . 74.35 110.568 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.69 -39.21 93.28 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.563 0.745 . . . . 65.54 112.08 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 35.3 mm-40 -72.67 -42.6 64.11 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.668 0.787 . . . . 72.44 111.731 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.533 HG12 HG13 ' A' ' 108' ' ' VAL . 70.1 t -68.55 -37.59 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.929 -0.578 . . . . 74.41 110.779 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -60.71 -45.01 95.84 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.742 0.817 . . . . 75.12 110.532 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 4.2 tppp? -63.88 -54.46 34.53 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.069 0.856 . . . . 74.44 110.255 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -48.81 72.95 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.299 0.999 . . . . 75.23 111.223 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.97 75.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.144 -0.935 . . . . 73.34 111.267 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.34 -41.51 93.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.732 0.813 . . . . 65.41 111.428 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 32.8 mm-40 -63.93 -38.44 91.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.296 0.638 . . . . 73.42 111.34 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.31 -10.3 58.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.106 0.563 . . . . 72.24 112.303 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.26 69.58 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 114.613 0.605 . . . . 75.25 114.613 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -75.38 123.8 26.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.889 0.476 . . . . 75.03 110.051 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.04 98.13 11.59 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.686 -0.857 . . . . 75.22 108.686 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.437 HD12 HD12 ' A' ' 112' ' ' LEU . 28.6 mt -105.11 128.06 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.411 0.684 . . . . 74.12 109.354 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HB3' HG21 ' A' ' 5' ' ' VAL . 30.0 tp60 -75.7 108.34 8.48 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.456 -0.942 . . . . 72.11 108.456 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.39 139.05 34.72 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.164 0.586 . . . . 73.14 109.647 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -154.03 161.59 41.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.532 0.733 . . . . 75.24 111.0 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -114.28 -35.98 4.82 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.681 1.193 . . . . 74.03 109.619 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.32 99.31 7.05 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 122.199 0.999 . . . . 71.35 109.488 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.64 -18.97 65.72 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.783 -1.098 . . . . 73.05 112.702 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -56.44 -38.52 71.73 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.464 0.706 . . . . 75.04 111.347 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.8 -46.83 70.82 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.245 0.618 . . . . 73.45 110.531 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD13 HG11 ' A' ' 5' ' ' VAL . 25.3 mm -71.73 -46.16 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.807 -1.088 . . . . 75.4 112.188 -169.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' A' ' 65' ' ' GLN . 68.2 mt -55.28 -39.2 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.42 1.088 . . . . 74.12 110.377 173.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.25 -41.7 89.58 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.167 -0.924 . . . . 74.35 110.958 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -76.8 -23.68 52.84 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.733 0.413 . . . . 75.22 111.374 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HB ' ' A' ' 46' ' ' ILE . 96.7 mt -61.87 -47.85 83.16 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.29 -0.633 . . . . 65.14 109.29 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 8.5 mtpm? -63.15 -28.26 69.93 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.952 0.901 . . . . 73.21 112.182 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -83.25 -9.05 59.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.189 0.596 . . . . 71.44 111.962 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 63.09 21.18 12.73 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.906 1.283 . . . . 74.44 111.28 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -21.83 43.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.169 0.988 . . . . 63.13 111.076 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' HA ' ' HG2' ' A' ' 3' ' ' LYS . 59.0 mt -93.86 130.56 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.331 0.652 . . . . 64.22 109.451 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 14.6 t70 -90.55 -44.59 9.47 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.457 0.703 . . . . 71.12 109.817 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -148.35 136.29 20.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.507 -0.77 . . . . 73.14 109.497 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 4.7 tt -134.02 133.73 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.742 0.817 . . . . 75.25 109.177 -173.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.527 HG22 HG23 ' A' ' 108' ' ' VAL . 64.5 mt -119.57 116.12 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.612 -1.255 . . . . 74.0 107.612 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 HG21 ' A' ' 62' ' ' ILE . 26.0 t -108.37 133.79 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.663 0.785 . . . . 74.1 109.716 -175.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' HG2' HG22 ' A' ' 13' ' ' ILE . 25.7 tptp -123.08 106.76 11.08 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.462 -0.94 . . . . 74.14 108.462 170.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 t -157.25 144.82 18.84 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.076 -1.083 . . . . 75.42 108.076 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.06 4.62 52.69 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.492 0.717 . . . . 65.23 109.852 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' HB3' ' HG ' ' A' ' 58' ' ' SER . 16.4 t70 -92.46 101.19 13.64 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.272 -0.64 . . . . 73.44 109.272 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HB3' HG22 ' A' ' 82' ' ' ILE . 14.6 ptmm? -60.17 -25.98 65.96 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.306 1.043 . . . . 74.3 113.519 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.1 -39.95 60.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.713 0.405 . . . . 73.15 110.927 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.401 ' HG ' ' HB3' ' A' ' 55' ' ' ASP . 89.2 p -72.52 -37.6 68.31 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.955 -0.387 . . . . 74.3 109.955 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.471 HG21 HD12 ' A' ' 75' ' ' ILE . 80.6 mt -54.42 -50.98 53.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 O-C-N 123.812 0.695 . . . . 75.35 109.714 172.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.3 t -53.74 -45.9 70.69 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.455 1.097 . . . . 72.21 111.109 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -58.51 -51.38 70.1 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.614 0.766 . . . . 70.22 111.98 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.597 HG21 HG23 ' A' ' 51' ' ' VAL . 1.8 mp -55.4 -50.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 123.558 0.536 . . . . 74.1 110.304 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.49 HD13 HG13 ' A' ' 75' ' ' ILE . 67.6 mt -60.46 -40.02 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.5 0.5 . . . . 73.0 110.956 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.5 -39.83 89.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.187 0.595 . . . . 74.45 110.543 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' HG21 ' A' ' 38' ' ' ILE . 8.6 mm100 -80.85 -17.04 52.03 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.805 -0.634 . . . . 75.23 111.763 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 94.7 t -83.91 -25.41 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.492 0.717 . . . . 75.42 110.047 170.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -74.68 -31.59 61.96 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.705 -0.85 . . . . 75.5 108.705 171.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.89 -42.8 66.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.434 -0.803 . . . . 74.32 111.43 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' A' ' 66' ' ' VAL . 77.6 p -77.24 -49.57 14.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.136 0.493 . . . . 55.13 111.749 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.48 29.12 12.67 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 114.84 -1.073 . . . . 51.21 111.467 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.75 169.67 15.91 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.369 0.668 . . . . 72.34 111.184 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -84.66 143.1 29.44 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 108.212 -1.033 . . . . 75.32 108.212 166.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.69 HG11 HG22 ' A' ' 93' ' ' VAL . 7.6 p -144.24 140.45 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 122.872 0.469 . . . . 74.13 111.656 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.38 117.56 25.48 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.368 1.067 . . . . 71.13 108.557 171.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.49 HG13 HD13 ' A' ' 63' ' ' ILE . 27.5 mm -94.2 124.3 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 123.446 0.698 . . . . 74.3 109.975 175.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -122.7 123.47 41.18 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.188 1.395 . . . . 75.1 107.49 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 t -138.77 150.21 45.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.959 -0.756 . . . . 73.55 108.959 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.9 m -83.34 11.02 7.33 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.369 0.668 . . . . 73.42 112.174 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -139.89 126.79 20.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.768 0.827 . . . . 62.33 109.336 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.53 ' HB3' HH11 ' A' ' 97' ' ' ARG . 12.4 pt-20 -74.86 -24.2 58.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.976 0.91 . . . . 53.23 113.156 -175.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.14 -30.75 49.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 109.181 -0.674 . . . . 75.51 109.181 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.513 HG22 ' HB3' ' A' ' 56' ' ' LYS . 58.2 mt -68.33 -48.88 71.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 CA-C-N 114.83 -1.077 . . . . 71.13 109.402 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.617 HG21 ' HE1' ' A' ' 123' ' ' HIS . 28.2 mm -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.482 0.489 . . . . 73.03 110.438 175.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.43 -44.81 89.29 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 124.004 0.922 . . . . 73.0 111.042 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.525 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 38.4 t -62.83 -43.13 99.62 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 114.926 -1.034 . . . . 72.15 111.23 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.1 mm -65.58 -31.37 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 71.0 110.774 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 81.1 mtm180 -73.99 -44.26 55.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.104 0.562 . . . . 74.33 111.918 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 65.4 pttt -68.29 -36.83 79.96 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.866 0.104 . . . . 74.11 111.075 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.61 -46.24 39.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.474 0.71 . . . . 74.4 110.625 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -128.77 93.6 36.96 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.011 0.925 . . . . 73.02 109.257 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.73 -19.35 14.44 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.371 2.047 . . . . 74.2 113.218 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -72.0 -23.81 61.47 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.508 0.929 . . . . 73.4 113.508 -176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.69 HG22 HG11 ' A' ' 73' ' ' VAL . 4.5 p -83.07 137.24 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.542 0.337 . . . . 72.43 111.828 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.82 113.3 4.79 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 168.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 83' ' ' ILE . 24.9 p -116.51 144.47 44.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.39 0.676 . . . . 74.45 109.722 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HA ' ' NE2' ' A' ' 123' ' ' HIS . 56.2 ttt-85 -158.33 131.0 7.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.957 -1.127 . . . . 73.45 107.957 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.53 HH11 ' HB3' ' A' ' 80' ' ' GLU . 41.6 ttp180 -72.75 133.02 44.35 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.571 -0.9 . . . . 75.14 108.571 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 106.01 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.488 -1.301 . . . . 73.44 107.488 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -99.59 -47.97 4.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.195 0.998 . . . . 72.44 108.365 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.71 143.87 43.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.266 -1.334 . . . . 55.1 109.472 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.48 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 49.8 pttt -67.65 -26.18 66.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.718 0.807 . . . . 75.24 111.189 177.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.2 pt-20 -70.22 -40.32 74.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.614 0.766 . . . . 70.44 110.985 171.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.74 -35.73 77.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.7 0.8 . . . . 73.41 111.739 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 13' ' ' ILE . 65.0 t -70.94 -53.53 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 O-C-N 123.458 0.474 . . . . 74.53 110.646 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.562 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 65.0 pttt -65.62 -35.74 81.67 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 111.9 0.333 . . . . 73.34 111.9 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.15 -46.68 87.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.35 1.06 . . . . 72.3 111.605 170.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.27 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.537 0.735 . . . . 74.25 111.644 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 17' ' ' VAL . 62.1 t -64.94 -56.89 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.261 -0.881 . . . . 75.45 110.092 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -52.71 -43.87 65.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.093 0.957 . . . . 64.25 111.701 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.68 -42.73 81.65 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.308 -0.86 . . . . 72.21 110.99 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -63.16 -32.51 73.92 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.073 0.949 . . . . 71.43 110.986 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.437 HD12 HD12 ' A' ' 28' ' ' ILE . 81.7 mt -76.09 -46.59 28.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.513 1.125 . . . . 74.23 111.35 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.03 -25.29 63.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.172 0.589 . . . . 73.31 112.03 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -92.76 18.61 8.62 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 72.34 110.943 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.37 -71.94 2.73 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 123.272 0.463 . . . . 64.33 112.124 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -164.55 44.72 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.752 -0.939 . . . . 74.11 110.752 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -157.56 168.81 26.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 74.32 109.286 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.25 166.24 11.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.832 0.853 . . . . 72.12 108.967 168.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.72 81.14 0.28 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 122.001 0.905 . . . . 74.23 110.272 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 57.2 32.17 21.27 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.129 -1.396 . . . . 73.33 111.363 -175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 40.04 77.85 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.367 1.467 . . . . 72.43 111.904 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -69.5 134.92 49.46 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.185 -0.916 . . . . 73.51 112.204 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.617 ' HE1' HG21 ' A' ' 83' ' ' ILE . 12.1 m170 -126.47 163.61 22.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.441 1.496 . . . . 71.12 108.691 171.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -82.83 -52.14 7.01 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.812 -1.181 . . . . 74.41 107.812 164.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 108.13 -1.063 . . . . 64.44 108.13 167.779 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptp . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 119.93 -0.081 . . . . 65.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.16 113.15 5.5 Favored Glycine 0 C--N 1.357 1.718 0 O-C-N 123.667 0.604 . . . . 74.33 112.219 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.47 116.59 6.91 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.315 0.646 . . . . 75.42 110.532 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 48' ' ' MET . 5.2 t -96.66 131.88 42.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.23 -1.026 . . . . 63.43 108.23 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 29' ' ' GLN . 65.3 t -131.67 121.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.006 -0.739 . . . . 75.11 109.006 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' HD1' ' HB ' ' A' ' 50' ' ' ILE . 59.2 t80 -97.11 106.45 18.78 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.597 -0.52 . . . . 74.55 109.597 175.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 37' ' ' ILE . 58.6 tp -94.34 139.95 30.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.834 -1.173 . . . . 52.14 107.834 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -151.29 170.22 20.04 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.608 0.718 . . . . 74.11 111.398 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.57 -33.46 11.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.73 1.612 . . . . 62.11 110.696 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -123.13 144.16 49.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.001 0.52 . . . . 74.24 111.628 -172.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.22 -45.65 72.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.914 1.286 . . . . 74.44 112.777 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.71 -24.22 67.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.084 0.554 . . . . 73.33 111.394 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.542 HG21 ' HG2' ' A' ' 52' ' ' LYS . 43.0 mm -70.32 -52.72 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-N 114.993 -1.003 . . . . 71.34 109.135 173.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.4 -42.0 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.044 1.338 . . . . 74.41 111.896 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.87 -43.87 97.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.165 0.986 . . . . 73.11 111.305 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 11.0 mm-40 -70.51 -39.81 73.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.724 0.81 . . . . 64.2 112.104 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 108' ' ' VAL . 58.9 t -65.71 -43.07 93.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 123.243 0.617 . . . . 74.31 111.233 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.5 t -64.81 -35.9 82.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.909 0.884 . . . . 73.52 110.65 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 3.9 tppp? -63.35 -48.79 76.49 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.067 0.547 . . . . 75.13 110.248 175.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -41.87 83.96 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.362 0.665 . . . . 74.45 111.063 176.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 28' ' ' ILE . . . -65.21 -35.71 81.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.663 0.785 . . . . 74.51 111.605 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.16 -53.04 15.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.126 0.57 . . . . 73.13 110.301 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 31.9 mm-40 -57.7 -37.84 74.2 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.069 0.856 . . . . 71.11 112.505 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -90.5 -20.37 22.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 111.95 0.352 . . . . 75.51 111.95 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 30.9 27.83 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.091 0.396 . . . . 73.21 114.091 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -85.04 149.04 25.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.52 0.728 . . . . 72.42 110.377 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -96.58 87.22 4.32 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.771 0.829 . . . . 71.15 109.141 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 21' ' ' ALA . 16.6 mt -112.96 108.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.846 -0.615 . . . . 75.13 109.87 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.2 tp-100 -78.28 118.09 20.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.688 -0.856 . . . . 75.13 108.688 174.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.28 135.56 39.73 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.439 0.696 . . . . 75.14 109.976 -175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -147.93 157.06 43.33 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.531 0.732 . . . . 75.11 110.778 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.61 -12.78 10.28 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.812 1.245 . . . . 74.45 109.651 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.54 104.1 16.09 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.547 0.739 . . . . 73.34 109.996 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -68.47 -26.39 65.47 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.781 0.832 . . . . 75.4 112.298 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.89 -41.25 95.68 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 123.549 0.531 . . . . 74.31 110.748 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.3 tt0 -62.47 -50.82 69.9 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.192 -0.913 . . . . 70.14 109.77 174.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.551 HD13 HG12 ' A' ' 5' ' ' VAL . 41.7 mm -63.35 -43.94 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.622 1.169 . . . . 73.43 112.678 -169.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.541 HG21 ' HG3' ' A' ' 65' ' ' GLN . 73.5 mt -54.36 -45.34 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.856 1.263 . . . . 74.22 110.545 174.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.16 -33.23 75.51 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.462 -1.244 . . . . 75.04 110.893 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtp180 -75.56 -36.27 60.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.627 0.771 . . . . 75.02 111.058 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.11 -39.84 87.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.364 0.666 . . . . 65.13 110.557 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -57.56 -38.83 75.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 123.719 0.637 . . . . 74.44 111.557 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -79.92 -12.77 59.71 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.035 0.934 . . . . 75.52 112.574 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 61.74 30.07 18.27 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 123.953 0.783 . . . . 64.5 109.836 -166.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 19.5 t-20 -71.66 -27.11 62.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.631 -1.168 . . . . 74.45 109.798 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG21 ' HB ' ' A' ' 49' ' ' ILE . 27.6 mt -115.81 129.32 72.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.837 1.255 . . . . 75.43 108.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.67 -32.55 13.33 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.281 0.633 . . . . 74.12 111.433 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.2 ptm -150.09 129.86 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.644 0.735 . . . . 72.5 109.402 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.1 tt -133.69 146.17 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.426 1.091 . . . . 72.52 109.195 -168.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.425 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 55.2 mt -129.2 123.53 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.333 -0.988 . . . . 72.42 108.333 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.504 HG22 HG21 ' A' ' 62' ' ' ILE . 58.9 t -117.33 111.46 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.477 0.711 . . . . 73.11 109.869 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HG2' HG21 ' A' ' 13' ' ' ILE . 45.9 tptt -99.59 106.91 18.93 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.94 -0.763 . . . . 74.01 108.94 173.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.414 HG21 HG13 ' A' ' 51' ' ' VAL . 10.7 t -166.52 159.56 14.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.02 0.928 . . . . 74.33 109.473 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.596 0.758 . . . . 72.5 110.816 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -77.35 105.44 8.47 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.586 -0.894 . . . . 75.43 108.586 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -58.07 -33.45 69.06 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.36 1.464 . . . . 74.53 111.92 -172.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.05 -31.18 50.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.658 0.783 . . . . 74.24 111.578 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -66.85 -47.91 70.45 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.126 0.571 . . . . 74.11 109.498 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.05 -50.64 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 114.009 -1.451 . . . . 73.22 109.893 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -55.06 -51.31 66.75 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 124.517 1.135 . . . . 75.1 111.734 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 61.4 mm-40 -61.54 -45.86 92.36 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.82 0.7 . . . . 75.33 112.128 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.504 HG21 HG22 ' A' ' 51' ' ' VAL . 1.7 mp -57.88 -49.56 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.397 0.435 . . . . 72.54 110.303 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.515 HD13 HG13 ' A' ' 75' ' ' ILE . 80.5 mt -59.83 -42.06 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 O-C-N 123.805 0.691 . . . . 73.12 110.593 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -57.67 -40.78 80.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.839 0.856 . . . . 74.14 110.96 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HG3' HG21 ' A' ' 38' ' ' ILE . 12.3 mm100 -70.44 -35.36 73.33 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.708 -0.678 . . . . 73.22 111.145 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 71' ' ' ALA . 74.7 t -77.59 -30.78 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 75.23 111.738 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.5 mt -67.01 -36.6 82.51 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.307 -0.627 . . . . 73.2 109.307 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.34 -41.62 32.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.526 -1.216 . . . . 73.25 111.775 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -77.87 -40.45 40.02 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.938 0.495 . . . . 72.2 110.606 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.05 44.8 4.03 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 115.76 -0.654 . . . . 72.5 112.473 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB2' HG13 ' A' ' 66' ' ' VAL . . . -99.69 174.01 6.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.282 0.633 . . . . 53.41 110.091 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -94.67 133.51 38.27 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 107.281 -1.377 . . . . 73.44 107.281 168.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 93' ' ' VAL . 6.5 p -131.85 126.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.024 0.375 . . . . 62.23 110.43 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' A' ' 111' ' ' PHE . 56.1 tp -108.37 109.87 21.29 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.999 0.92 . . . . 73.04 108.908 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 95' ' ' THR . 45.8 mm -91.93 116.04 32.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 123.771 0.829 . . . . 74.11 109.115 175.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 98' ' ' ALA . 92.4 mt -110.32 125.56 53.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.232 1.013 . . . . 73.54 108.364 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 t -145.54 151.56 38.33 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.988 -0.745 . . . . 62.21 108.988 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -74.87 -35.84 62.31 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.901 0.48 . . . . 71.24 111.304 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -88.43 127.26 35.5 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.27 0.557 . . . . 64.41 110.441 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HB3' ' HD2' ' A' ' 97' ' ' ARG . 12.6 pt-20 -74.03 -18.29 60.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.957 -1.019 . . . . 54.21 111.725 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -82.32 -28.6 31.54 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.741 -0.466 . . . . 71.13 109.741 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.414 ' O ' HG12 ' A' ' 86' ' ' ILE . 75.6 mt -65.4 -54.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 N-CA-C 108.449 -0.945 . . . . 71.21 108.449 168.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 33.3 mm -50.99 -46.96 30.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 O-C-N 124.441 1.088 . . . . 72.25 110.655 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.23 -45.37 91.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.668 0.787 . . . . 74.52 111.208 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -61.66 -38.27 87.15 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.09 0.556 . . . . 64.24 110.942 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.479 HG23 HG12 ' A' ' 93' ' ' VAL . 46.5 mm -70.66 -29.78 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 123.103 0.561 . . . . 74.35 110.682 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 41.6 mtm180 -73.02 -37.02 67.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.73 0.412 . . . . 74.55 111.676 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.41 -37.72 31.63 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 111.682 0.252 . . . . 75.14 111.682 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.11 -45.82 66.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.913 0.485 . . . . 75.35 110.432 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.505 ' O ' HG11 ' A' ' 93' ' ' VAL . 22.9 m-85 -125.21 93.15 45.92 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.414 -0.958 . . . . 74.03 108.414 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.6 -29.34 52.29 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 C-N-CA 121.71 1.606 . . . . 72.34 113.913 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -80.96 -2.15 46.6 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 113.655 0.983 . . . . 75.14 113.655 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.69 HG21 HG13 ' A' ' 73' ' ' VAL . 11.3 p -82.46 147.94 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.166 0.439 . . . . 75.41 110.242 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.55 120.0 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.472 -1.307 . . . . 74.41 107.472 165.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 75' ' ' ILE . 31.5 p -123.19 150.68 43.05 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.383 0.673 . . . . 72.11 109.248 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -158.32 126.01 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.652 -1.24 . . . . 74.43 107.652 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HD2' ' HB3' ' A' ' 80' ' ' GLU . 66.6 ttt180 -67.17 118.31 10.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.42 -0.585 . . . . 74.24 109.42 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 76' ' ' LEU . . . -137.72 105.85 5.72 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 107.247 -1.39 . . . . 74.51 107.247 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.94 -55.94 3.43 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.711 0.632 . . . . 73.14 109.897 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -96.22 159.22 15.07 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.778 -1.101 . . . . 63.02 109.472 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.37 -30.16 64.64 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.789 1.236 . . . . 64.4 112.437 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.2 pt-20 -62.27 -48.68 78.85 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.557 0.743 . . . . 74.15 110.523 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.55 -36.63 83.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.869 0.868 . . . . 73.11 111.41 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.41 -53.85 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 123.785 0.678 . . . . 65.14 110.755 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 58.4 pttt -63.33 -33.87 76.47 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.573 0.546 . . . . 75.12 111.32 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.74 -45.49 89.63 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.417 0.687 . . . . 75.35 111.389 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.94 85.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.432 0.693 . . . . 72.43 111.38 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 17' ' ' VAL . 72.1 t -62.51 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 124.099 0.96 . . . . 75.01 110.333 176.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.37 -48.29 68.71 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.93 0.892 . . . . 74.22 111.001 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.38 -18.9 58.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.384 1.074 . . . . 75.3 111.926 -176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' A' ' 118' ' ' LEU . 65.9 t80 -71.57 -39.49 70.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.429 -0.582 . . . . 70.55 109.429 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.1 mt -80.07 -48.91 12.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.008 -0.996 . . . . 70.41 112.19 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -73.66 -34.22 64.82 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.056 0.543 . . . . 71.0 112.269 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -85.43 -13.4 49.39 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.041 0.136 . . . . 73.43 110.661 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.41 79.42 0.71 Allowed Glycine 0 C--N 1.355 1.625 0 O-C-N 123.419 0.449 . . . . 63.44 113.465 171.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.37 -72.84 1.88 Allowed Glycine 0 C--N 1.348 1.235 0 O-C-N 123.942 0.437 . . . . 73.4 112.514 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 p -73.49 106.52 5.32 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.191 -0.67 . . . . 63.34 109.191 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' ' 111' ' ' PHE . 5.1 mp -64.79 -47.41 78.22 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.086 0.946 . . . . 73.2 109.632 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -128.23 169.75 13.81 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 114.312 -1.313 . . . . 72.25 108.562 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -163.13 0.82 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 108.202 -1.036 . . . . 71.31 108.202 166.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -64.96 109.67 2.19 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 108.183 -1.043 . . . . 73.05 108.183 167.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -79.76 68.59 5.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.357 1.063 . . . . 71.43 110.28 -167.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -139.35 159.61 41.75 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.52 1.128 . . . . 73.43 109.92 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -126.63 21.02 7.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.456 1.102 . . . . 74.21 109.335 170.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 . . . . . 0 C--O 1.251 1.156 0 N-CA-C 107.316 -1.365 . . . . 62.21 107.316 177.248 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 120.555 0.217 . . . . 72.11 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.96 120.89 37.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.004 -1.11 . . . . 73.33 108.004 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.2 t -124.24 117.41 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.454 -0.572 . . . . 75.23 109.454 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -88.63 146.96 24.79 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 75.15 109.844 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.5 tp -135.61 130.36 34.3 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.01 1.324 . . . . 74.0 108.462 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 38.1 t -156.09 138.81 15.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.627 0.771 . . . . 71.41 109.207 170.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.4 -21.17 60.56 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.949 0.9 . . . . 72.33 111.04 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -101.47 134.2 44.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.663 0.785 . . . . 75.31 110.509 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.09 -46.51 74.02 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.026 0.93 . . . . 75.14 112.33 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.48 -24.82 67.99 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.75 0.42 . . . . 73.53 112.061 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 101' ' ' LYS . 29.3 mm -68.95 -51.91 39.62 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 N-CA-C 109.141 -0.689 . . . . 52.13 109.141 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -54.77 -39.49 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.709 1.204 . . . . 63.45 111.371 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.51 -41.56 96.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.8 0.84 . . . . 74.42 111.365 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.655 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 43.9 mm-40 -74.46 -37.06 63.33 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.799 0.687 . . . . 74.22 112.083 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 HG11 ' A' ' 108' ' ' VAL . 78.1 t -68.09 -40.95 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.272 0.629 . . . . 74.33 110.515 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 t -67.07 -31.54 72.11 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.542 -0.754 . . . . 55.53 110.578 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.8 tppt? -71.23 -44.92 64.39 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.228 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -60.45 -39.39 87.37 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.18 0.592 . . . . 70.22 110.679 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.59 -26.14 66.12 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.724 -0.671 . . . . 65.44 111.542 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.0 -53.51 8.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.413 0.685 . . . . 63.41 110.399 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 12.9 mm-40 -55.52 -49.78 71.73 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.778 0.831 . . . . 55.52 111.774 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.49 -20.48 29.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.701 0.8 . . . . 65.21 112.275 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 38.13 47.74 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.526 -0.23 . . . . 54.15 112.526 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -83.34 143.86 30.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 73.44 111.298 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.87 107.87 16.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.238 1.015 . . . . 70.21 109.446 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 21' ' ' ALA . 22.2 mt -136.44 143.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.216 0.606 . . . . 51.34 109.475 174.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -105.55 114.52 28.73 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.269 -1.011 . . . . 73.32 108.269 165.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -96.91 132.93 42.18 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.583 -0.525 . . . . 74.21 109.583 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -131.66 149.63 52.43 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.101 0.96 . . . . 43.34 109.355 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.2 t-20 -101.19 -28.68 12.53 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.337 0.655 . . . . 74.34 110.74 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.82 120.07 36.48 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.515 0.726 . . . . 62.2 111.404 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 58' ' ' SER . 13.2 ptpt -69.18 -33.65 73.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.981 0.913 . . . . 72.25 112.98 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.39 -36.7 81.86 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.056 0.543 . . . . 73.15 110.533 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 23.3 tt0 -58.14 -50.3 73.99 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 114.955 -1.02 . . . . 70.3 109.587 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.95 -38.23 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 114.776 -1.102 . . . . 75.32 111.656 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 98.4 mt -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.459 0.703 . . . . 65.31 110.069 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 29.1 t70 -74.46 -31.05 62.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.224 0.609 . . . . 61.15 111.721 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.4 mtp180 -70.74 -34.37 71.8 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.166 0.508 . . . . 64.45 110.001 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.52 -26.42 55.22 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.19 -0.914 . . . . 65.2 110.833 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 10.3 mtpm? -64.78 -34.51 78.52 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.251 0.62 . . . . 65.3 110.566 170.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -85.6 -7.92 58.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.3 0.64 . . . . 74.35 111.163 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.32 21.73 10.01 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 125.077 1.351 . . . . 74.4 111.734 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.08 11.6 15.73 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.96 0.904 . . . . 71.54 112.581 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.521 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.2 mt -110.52 122.87 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.369 -0.975 . . . . 63.23 108.369 169.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.06 -39.28 23.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.272 0.629 . . . . 71.02 110.671 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.68 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 13.9 ptm -151.28 135.16 16.51 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.042 0.937 . . . . 65.12 108.903 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.4 tt -134.63 148.74 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.36 0.664 . . . . 71.3 110.343 -169.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.435 HG21 HG22 ' A' ' 108' ' ' VAL . 56.6 mt -133.1 119.11 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.023 -1.103 . . . . 64.15 108.023 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -115.51 114.87 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.488 0.715 . . . . 71.32 109.796 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -107.43 112.9 25.91 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.914 0.885 . . . . 73.01 109.401 173.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.424 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.0 t -174.84 162.88 3.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.556 1.142 . . . . 73.04 109.124 173.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.03 -8.56 30.11 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.466 0.707 . . . . 73.33 109.938 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.12 95.92 1.02 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 73.33 109.897 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -56.25 -30.2 62.1 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.848 1.259 . . . . 75.32 112.234 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.93 -47.77 84.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.119 0.967 . . . . 75.31 111.425 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 68.7 p -71.37 -48.31 50.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.852 0.461 . . . . 53.45 110.394 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.424 HD11 ' O ' ' A' ' 53' ' ' THR . 90.2 mt -51.04 -54.41 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 123.898 0.749 . . . . 75.25 110.656 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.34 -58.02 9.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 62.44 111.482 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 53.7 mm-40 -64.02 -42.73 97.03 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.598 0.592 . . . . 72.14 112.598 -172.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.643 HG21 HG21 ' A' ' 51' ' ' VAL . 1.6 mp -57.17 -49.08 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 123.537 0.523 . . . . 65.41 110.164 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 75' ' ' ILE . 86.9 mt -58.57 -42.93 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 122.669 0.388 . . . . 52.34 110.687 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -62.56 -30.88 71.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.826 0.85 . . . . 72.41 111.142 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 25.9 mm-40 -77.75 -30.72 51.71 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.825 -0.625 . . . . 74.02 111.618 173.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.578 HG11 ' HB ' ' A' ' 73' ' ' VAL . 79.7 t -74.05 -30.61 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 122.965 0.506 . . . . 53.22 110.655 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.4 mt -62.27 -40.62 96.84 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.58 -0.526 . . . . 74.23 109.58 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.62 -42.1 91.93 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.253 -0.885 . . . . 73.31 110.852 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.8 p -80.41 -24.86 39.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.809 0.444 . . . . 51.21 112.135 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.59 25.96 74.86 Favored Glycine 0 C--N 1.348 1.23 0 O-C-N 123.234 0.334 . . . . 52.12 112.646 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -84.62 172.2 11.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.755 . . . . 62.0 111.217 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -84.57 139.34 32.17 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.815 -1.18 . . . . 60.43 107.815 170.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.687 HG13 HG23 ' A' ' 93' ' ' VAL . 4.6 p -136.17 130.85 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.146 0.578 . . . . 63.5 110.567 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.46 113.88 22.02 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.166 0.986 . . . . 63.44 108.805 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.52 ' HB ' HG22 ' A' ' 95' ' ' THR . 48.6 mm -97.67 125.61 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 123.479 0.712 . . . . 70.51 109.544 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 122.49 38.26 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.853 1.261 . . . . 74.44 108.257 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.6 p -146.56 152.55 39.13 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.641 -0.504 . . . . 54.24 109.641 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.5 t -67.33 -33.27 74.91 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.801 0.84 . . . . 74.1 110.684 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -91.23 122.64 34.03 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-N 115.202 -0.908 . . . . 72.3 111.045 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -72.28 -23.2 61.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.597 -1.183 . . . . 62.23 111.304 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -74.81 -33.85 62.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.992 -0.744 . . . . 74.55 108.992 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.437 HG12 ' HE2' ' A' ' 56' ' ' LYS . 80.9 mt -64.3 -54.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 N-CA-C 109.191 -0.67 . . . . 73.05 109.191 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' HB ' ' A' ' 95' ' ' THR . 31.2 mm -51.1 -53.75 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 124.179 0.924 . . . . 70.15 110.572 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 -38.17 90.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.771 0.828 . . . . 73.52 111.967 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 m -59.16 -42.82 91.68 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.498 0.319 . . . . 71.53 110.707 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.685 HG22 HG11 ' A' ' 93' ' ' VAL . 46.3 mm -69.17 -31.66 50.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.776 -0.647 . . . . 73.15 110.817 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 72.2 mtp85 -70.19 -46.44 64.59 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.979 0.512 . . . . 70.11 111.755 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -74.33 -30.41 62.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.533 0.333 . . . . 70.21 111.395 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -76.79 -41.66 43.65 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.808 0.443 . . . . 73.32 110.799 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 93' ' ' VAL . 34.9 m-85 -125.23 104.22 29.14 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 123.451 0.7 . . . . 64.45 109.143 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.51 -29.77 24.5 Favored 'Trans proline' 0 C--N 1.368 1.569 0 C-N-CA 122.18 1.92 . . . . 74.11 113.497 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -85.82 -6.63 59.07 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.714 1.005 . . . . 73.21 113.714 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.687 HG23 HG13 ' A' ' 73' ' ' VAL . 12.4 p -75.69 141.94 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.097 0.408 . . . . 74.5 110.328 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.475 ' HG3' ' HE1' ' A' ' 111' ' ' PHE . 9.9 mm-40 -85.31 127.18 34.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 106.658 -1.608 . . . . 74.13 106.658 167.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 83' ' ' ILE . 3.2 p -135.85 140.53 44.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.868 0.467 . . . . 65.01 109.819 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -153.85 138.0 16.5 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.559 -0.904 . . . . 54.03 108.559 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -77.54 119.87 21.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.648 -0.871 . . . . 73.42 108.648 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.03 105.17 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.22 -1.03 . . . . 71.43 108.22 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -94.6 -53.01 4.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.769 -0.826 . . . . 72.13 108.769 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.62 154.38 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.215 -0.902 . . . . 72.01 109.129 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.574 ' HB3' HD13 ' A' ' 13' ' ' ILE . 41.4 pttt -63.55 -20.35 65.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.353 1.061 . . . . 71.23 112.362 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.637 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 53.7 mm-40 -62.37 -50.2 72.49 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.439 0.696 . . . . 61.33 110.934 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.33 -33.19 74.98 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.087 -0.961 . . . . 73.12 112.019 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 13' ' ' ILE . 46.5 t -65.5 -57.28 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.595 -0.73 . . . . 65.44 110.138 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.655 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.4 pttt -65.96 -32.14 73.45 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.343 0.402 . . . . 75.13 111.669 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.89 -53.42 58.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.567 0.747 . . . . 73.11 111.058 170.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 96' ' ' ARG . . . -61.25 -38.86 88.19 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.998 0.811 . . . . 72.54 111.383 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.517 HG11 HG13 ' A' ' 17' ' ' VAL . 55.2 t -60.42 -48.23 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.424 -0.807 . . . . 73.01 109.654 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.16 -47.75 83.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.506 -0.77 . . . . 74.01 111.514 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -61.03 -37.01 81.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.924 0.89 . . . . 55.41 111.221 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.475 ' HE1' ' HG3' ' A' ' 94' ' ' GLU . 47.3 t80 -64.3 -42.5 96.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.384 -1.28 . . . . 61.02 110.087 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -79.44 -33.57 42.35 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.542 -0.754 . . . . 74.3 112.981 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -59.33 -44.92 92.55 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.21 0.529 . . . . 74.03 110.503 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 CA--C 1.547 0.837 0 CA-C-N 114.889 -1.051 . . . . 73.11 111.888 -176.425 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 tptt . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.24 -0.281 . . . . 72.23 110.24 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -87.36 127.91 40.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 124.685 1.241 . . . . 64.14 109.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.7 t -131.43 123.32 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 108.458 -0.941 . . . . 60.51 108.458 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HB3' HG22 ' A' ' 30' ' ' THR . 70.6 t80 -102.59 131.24 49.47 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.169 -0.678 . . . . 73.42 109.169 173.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -124.09 140.72 52.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.479 1.112 . . . . 73.32 108.468 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 m -148.02 156.04 42.19 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.996 -0.742 . . . . 74.34 108.996 164.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.72 -25.82 41.03 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.472 -0.785 . . . . 64.42 109.255 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.48 143.3 28.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.643 0.777 . . . . 73.41 111.138 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -76.3 -46.33 28.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.044 0.938 . . . . 62.31 112.258 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.19 -29.58 70.47 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.721 0.408 . . . . 62.04 111.968 -173.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.471 HG23 HG11 ' A' ' 104' ' ' VAL . 36.5 mm -62.6 -49.18 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 O-C-N 123.745 0.653 . . . . 74.22 110.086 172.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.44 -37.33 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.374 1.07 . . . . 75.21 111.832 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.0 -37.65 86.47 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.325 0.65 . . . . 73.33 110.791 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 60.2 mm-40 -67.36 -47.94 68.93 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.96 0.904 . . . . 74.41 111.779 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LYS . 76.1 t -66.88 -39.02 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.545 -0.752 . . . . 72.04 111.152 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 t -73.4 -30.59 63.35 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.294 0.638 . . . . 32.33 110.8 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.3 tppt? -66.39 -50.47 63.35 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.46 -0.571 . . . . 73.1 109.46 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -65.01 -33.19 75.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.094 0.558 . . . . 74.3 111.158 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.54 72.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.276 0.631 . . . . 74.41 111.218 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.61 -50.02 28.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.632 0.773 . . . . 70.33 110.474 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 14.3 mm-40 -59.46 -39.46 83.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.69 . . . . 63.32 111.86 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -92.48 -12.38 32.19 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.933 -0.576 . . . . 71.25 112.517 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.15 17.9 77.41 Favored Glycine 0 N--CA 1.47 0.926 0 O-C-N 123.195 0.31 . . . . 64.13 113.514 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 25.8 m-85 -69.45 114.51 7.75 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 122.799 0.44 . . . . 73.54 110.237 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.53 105.25 7.48 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.89 -0.781 . . . . 74.45 108.89 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 112' ' ' LEU . 32.3 mt -127.36 128.84 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.818 0.847 . . . . 62.41 109.355 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.58 ' HB3' HG22 ' A' ' 5' ' ' VAL . 19.0 tp60 -77.59 106.53 9.43 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.922 -1.14 . . . . 63.02 107.922 167.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 6' ' ' PHE . 24.2 p -98.96 141.2 32.03 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.31 0.644 . . . . 73.32 109.282 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.504 ' HB3' HD11 ' A' ' 37' ' ' ILE . 41.9 t -155.57 140.34 17.1 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.629 0.772 . . . . 54.21 110.289 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -83.03 -42.55 17.37 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.965 0.906 . . . . 65.41 109.702 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.89 110.3 7.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.272 -0.876 . . . . 73.42 110.771 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.52 -31.11 72.18 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.859 -1.064 . . . . 72.34 112.019 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.25 -32.31 72.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.81 0.444 . . . . 73.42 111.098 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 16.6 tp10 -60.47 -50.25 74.31 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.697 0.799 . . . . 73.24 109.469 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 31' ' ' SER . 44.9 mm -68.58 -39.84 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.235 -0.893 . . . . 74.13 112.574 -172.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.465 HG23 ' HG3' ' A' ' 65' ' ' GLN . 92.2 mt -58.49 -39.34 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.592 0.757 . . . . 75.45 109.683 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 13.3 t70 -68.67 -36.91 79.16 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.734 -1.121 . . . . 73.23 110.997 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 39.7 mtp85 -70.39 -31.79 69.18 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.997 0.519 . . . . 63.13 110.916 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.79 -33.08 73.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.778 0.831 . . . . 64.2 110.606 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 39' ' ' ASP . 67.1 mttm -63.63 -39.13 93.59 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.216 0.606 . . . . 63.14 110.752 171.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 24.7 mtt180 -76.48 -18.14 58.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.127 0.571 . . . . 70.1 110.301 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 69.55 22.91 6.12 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.613 1.565 . . . . 73.43 111.26 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.422 ' OD1' ' HD2' ' A' ' 43' ' ' ARG . 12.2 m120 -64.21 -24.74 67.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.996 0.918 . . . . 62.21 111.988 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.456 HG21 ' HB ' ' A' ' 49' ' ' ILE . 25.9 mt -96.36 133.43 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.706 0.803 . . . . 73.33 110.01 -171.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.32 -45.43 6.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.468 0.651 . . . . 63.43 109.9 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -138.87 132.74 30.96 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.075 -0.966 . . . . 73.42 109.088 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.2 tt -139.02 142.66 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.48 0.712 . . . . 75.22 109.44 -172.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.523 HD12 HG13 ' A' ' 108' ' ' VAL . 63.8 mt -129.18 122.11 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.97 -1.122 . . . . 73.43 107.97 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 62' ' ' ILE . 58.4 t -118.24 120.95 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.622 0.769 . . . . 61.33 109.657 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -110.15 107.07 16.75 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.09 -0.708 . . . . 71.52 109.09 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.45 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.1 t -164.84 156.84 15.73 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.344 1.058 . . . . 72.31 108.352 170.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.7 mp0 -93.45 -16.11 24.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.688 0.795 . . . . 71.32 109.992 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.23 96.82 0.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.316 0.646 . . . . 61.21 109.299 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -56.05 -31.61 63.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.318 1.047 . . . . 63.44 112.919 -175.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -73.12 -37.37 66.69 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.417 0.687 . . . . 64.11 111.236 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.2 p -74.04 -43.75 56.73 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.837 0.455 . . . . 53.53 110.138 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 53' ' ' THR . 88.4 mt -51.75 -47.49 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.193 0.933 . . . . 72.4 109.875 173.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -52.23 -52.91 49.61 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.284 -1.325 . . . . 70.14 112.087 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.3 -49.62 76.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.432 0.693 . . . . 63.44 111.456 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -58.31 -50.71 77.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.67 0.606 . . . . 71.3 110.417 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 75' ' ' ILE . 69.0 mt -59.13 -41.01 82.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 O-C-N 123.446 0.466 . . . . 64.04 110.879 -178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -57.81 -41.02 81.3 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.095 0.558 . . . . 71.35 110.934 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 38' ' ' ILE . 13.3 mm100 -69.65 -33.57 72.78 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 123.652 0.595 . . . . 75.25 111.32 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 71' ' ' ALA . 90.6 t -76.99 -28.57 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 C-N-CA 123.657 0.783 . . . . 73.13 111.127 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -68.46 -43.33 77.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.202 -1.036 . . . . 64.1 108.202 173.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.29 -41.94 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.149 -1.387 . . . . 75.13 111.461 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -88.51 -16.52 32.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 44.51 112.456 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.37 42.21 83.1 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.265 0.353 . . . . 74.1 113.558 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -103.88 174.97 5.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.697 0.799 . . . . 74.14 111.985 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 135.79 33.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.912 0.885 . . . . 71.15 108.654 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG23 ' A' ' 93' ' ' VAL . 7.1 p -144.09 139.38 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 122.646 0.379 . . . . 63.22 111.365 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.3 tp -118.59 116.6 26.95 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 108.188 -1.042 . . . . 73.02 108.188 173.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 46.2 mm -97.25 122.88 49.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.228 -0.656 . . . . 73.1 109.228 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.79 129.64 56.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.345 1.058 . . . . 65.34 108.4 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.6 m -143.07 139.54 30.54 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.099 -1.075 . . . . 64.14 108.099 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 p -64.39 -26.93 68.68 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 122.971 0.508 . . . . 64.0 110.919 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -95.94 121.34 37.58 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.029 -0.987 . . . . 55.41 110.017 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 13.4 pt-20 -83.4 -13.79 54.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.75 0.82 . . . . 71.42 112.564 -174.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.23 -30.16 48.6 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.036 -0.727 . . . . 71.54 109.036 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.568 HG23 ' HG2' ' A' ' 56' ' ' LYS . 66.2 mt -67.38 -49.33 72.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 115.042 -0.981 . . . . 75.54 109.014 168.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 27.2 mm -53.35 -41.89 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 123.477 0.485 . . . . 64.53 111.351 173.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.72 -45.97 90.25 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.153 0.981 . . . . 71.54 110.309 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -61.02 -38.62 86.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.032 0.933 . . . . 74.21 111.569 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.0 mm -69.39 -34.11 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.467 0.707 . . . . 71.2 111.146 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 18.2 mtm180 -75.98 -30.28 58.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.565 0.346 . . . . 53.24 111.802 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -88.47 -32.46 18.24 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 111.956 0.354 . . . . 75.32 111.956 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.07 -42.55 37.85 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.923 0.489 . . . . 70.21 110.076 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-85 -119.7 95.88 49.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 107.658 -1.238 . . . . 71.24 107.658 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.19 -26.68 35.93 Favored 'Trans proline' 0 C--N 1.363 1.296 0 C-N-CA 122.048 1.832 . . . . 74.22 113.445 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.01 7.86 44.75 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.659 0.985 . . . . 74.24 113.659 -170.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 73' ' ' VAL . 9.7 p -90.88 132.22 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 118.227 0.467 . . . . 72.43 110.444 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.35 131.65 41.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 80.7 p -136.47 161.82 34.78 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.301 0.64 . . . . 64.24 110.054 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -159.31 139.4 11.96 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.173 -1.047 . . . . 72.42 108.173 169.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 48.1 ttp180 -67.69 123.22 19.88 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.468 -0.938 . . . . 74.24 108.468 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.36 102.39 6.16 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 107.885 -1.154 . . . . 64.02 107.885 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.33 -63.64 1.37 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.309 0.644 . . . . 72.41 109.553 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.3 m-20 -77.72 156.77 30.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.381 -1.281 . . . . 73.43 109.979 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.59 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.3 pttp -60.43 -26.84 67.03 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.832 0.853 . . . . 72.12 110.135 169.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 21.5 mm-40 -62.85 -51.93 65.11 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.527 1.131 . . . . 72.32 110.454 172.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HG2' ' HB2' ' A' ' 100' ' ' ASP . 18.7 mm-40 -54.48 -40.41 68.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.743 0.817 . . . . 54.43 111.4 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG11 HG23 ' A' ' 13' ' ' ILE . 48.5 t -67.49 -58.13 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 123.816 0.698 . . . . 71.43 111.448 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 56.5 pttt -65.06 -34.45 78.46 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.447 0.467 . . . . 72.23 111.832 -171.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.48 -31.52 63.8 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.387 0.675 . . . . 75.45 112.293 174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.485 0.314 . . . . 65.32 111.008 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 98.4 t -67.06 -56.96 11.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 108.897 -0.779 . . . . 55.32 108.897 174.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 41.5 tt0 -49.49 -44.02 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.099 1.36 . . . . 65.34 111.688 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 33.4 tt0 -68.04 -47.56 68.05 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.065 0.853 . . . . 74.51 111.234 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -58.24 -27.23 63.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.957 0.903 . . . . 74.34 110.605 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 61.2 mt -80.79 -43.45 20.09 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.936 0.894 . . . . 71.32 111.566 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.472 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.9 mttm -59.96 -43.76 94.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.808 0.443 . . . . 71.33 110.54 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 9.0 mm-40 . . . . . 0 CA--C 1.544 0.74 0 CA-C-N 115.291 -0.868 . . . . 73.44 110.61 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 C--O 1.247 0.931 0 CA-C-O 121.134 0.492 . . . . 63.51 110.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -94.11 135.08 29.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.545 -1.207 . . . . 72.1 107.907 166.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 29' ' ' GLN . 70.3 t -129.15 119.79 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.652 -0.87 . . . . 64.31 108.652 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.524 ' HB3' HG22 ' A' ' 30' ' ' THR . 84.9 t80 -98.74 118.32 35.2 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.468 -0.568 . . . . 75.32 109.468 173.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.9 tp -103.67 141.33 36.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 123.818 0.847 . . . . 72.23 108.776 170.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -150.85 146.78 26.56 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.047 -0.723 . . . . 74.5 109.047 167.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -86.76 -17.04 34.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.583 -0.735 . . . . 71.55 109.649 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.2 129.9 48.71 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 70.25 109.636 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.9 tp-100 -67.62 -42.33 82.51 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 75.42 113.356 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.13 -45.6 87.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.459 0.304 . . . . 52.11 110.471 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 101' ' ' LYS . 17.8 mm -51.53 -49.76 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 O-C-N 124.112 0.882 . . . . 63.31 111.619 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 30' ' ' THR . 86.6 mt -54.78 -48.61 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.16 0.984 . . . . 74.21 110.659 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 -33.94 76.73 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.018 0.824 . . . . 70.53 111.645 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 56.1 mm-40 -64.43 -49.46 71.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.006 0.523 . . . . 65.51 111.55 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG11 ' A' ' 108' ' ' VAL . 97.4 t -71.58 -37.62 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.683 -0.689 . . . . 73.12 111.281 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 30' ' ' THR . 30.2 t -69.22 -39.12 78.76 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.134 0.574 . . . . 50.11 111.012 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 16.4 tppt? -66.2 -44.26 84.44 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.57 0.544 . . . . 75.51 110.158 176.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.17 -36.2 83.47 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.542 0.737 . . . . 61.52 111.145 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.54 -31.85 72.23 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.67 -0.696 . . . . 74.11 110.884 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.08 -40.14 71.75 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.613 0.571 . . . . 63.42 110.253 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 46.0 mt-10 -57.45 -48.5 79.0 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.172 0.589 . . . . 75.43 110.411 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -85.03 -16.57 40.28 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.402 -0.817 . . . . 64.43 112.81 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 21.89 76.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.549 0.531 . . . . 61.13 113.068 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -72.72 120.68 18.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.258 0.623 . . . . 72.1 110.445 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.09 93.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 109.09 -0.707 . . . . 74.43 109.09 170.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ALA . 30.4 mt -123.69 122.73 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.544 0.738 . . . . 63.1 109.503 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB3' HG22 ' A' ' 5' ' ' VAL . 7.6 tp-100 -82.62 113.13 20.1 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.78 -0.822 . . . . 74.42 108.78 171.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 14' ' ' ILE . 41.6 p -105.72 134.5 48.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 122.956 0.502 . . . . 72.25 110.001 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.488 ' HB3' HD11 ' A' ' 37' ' ' ILE . 47.1 t -151.57 161.07 43.31 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.397 0.679 . . . . 50.22 110.335 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.99 -32.53 9.19 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.353 1.061 . . . . 63.2 109.262 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.3 104.61 10.04 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 115.61 -0.723 . . . . 74.33 109.96 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -64.76 -28.16 69.39 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.04 -0.982 . . . . 73.0 111.557 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.86 -37.47 79.12 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.797 0.839 . . . . 63.31 110.9 -173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 22.3 tt0 -62.51 -48.15 80.82 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.568 -0.742 . . . . 64.33 109.589 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 31' ' ' SER . 51.5 mm -64.14 -36.46 77.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.005 -0.998 . . . . 72.51 111.216 -173.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -58.97 -44.65 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.846 0.858 . . . . 64.31 110.288 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 24.1 t70 -65.52 -33.68 76.49 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.232 -0.895 . . . . 72.15 110.81 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.1 mtp180 -74.4 -28.63 61.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.359 0.664 . . . . 71.14 110.926 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.7 mt -68.78 -34.83 76.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.516 0.726 . . . . 64.42 110.405 170.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 27.4 mtpp -66.81 -33.13 74.93 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.88 0.872 . . . . 64.51 111.686 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.6 mtt180 -71.06 -15.93 62.56 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.111 0.564 . . . . 74.1 111.033 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.15 22.37 11.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.893 1.277 . . . . 55.12 110.626 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.63 -22.34 47.08 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.555 0.742 . . . . 45.25 110.954 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.449 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.3 mt -97.54 125.76 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 123.558 0.743 . . . . 75.52 109.492 -176.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -89.98 -41.59 11.65 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.147 0.499 . . . . 74.14 110.494 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 ptm -145.33 138.85 26.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.51 -0.768 . . . . 74.12 108.996 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.449 ' HB ' HG21 ' A' ' 46' ' ' ILE . 8.7 tt -138.49 147.34 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.681 0.792 . . . . 75.01 109.649 -171.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 74' ' ' LEU . 59.9 mt -132.86 119.8 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.351 -0.981 . . . . 73.4 108.351 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG21 HG21 ' A' ' 62' ' ' ILE . 59.2 t -115.28 123.58 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.62 0.768 . . . . 75.33 109.986 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.1 tptp -113.57 110.87 20.94 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.92 0.888 . . . . 74.54 109.396 173.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 59' ' ' ILE . 4.8 t -163.3 152.08 14.28 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.114 0.565 . . . . 72.05 110.492 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.6 0.38 57.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.565 1.146 . . . . 71.45 110.446 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -92.22 108.47 19.97 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.188 -0.671 . . . . 63.51 109.188 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -52.33 -38.29 58.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.138 1.375 . . . . 72.12 113.062 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.71 -38.57 64.78 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.539 0.525 . . . . 74.21 110.578 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' ILE . 48.4 m -66.87 -42.27 85.91 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.325 0.65 . . . . 75.45 110.08 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 75' ' ' ILE . 75.9 mt -59.62 -53.03 54.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.281 -0.872 . . . . 73.51 109.903 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 t -55.47 -51.74 65.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.319 1.048 . . . . 71.52 112.127 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 38.4 mm-40 -56.46 -48.91 76.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.544 0.738 . . . . 71.1 111.749 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.27 -50.01 79.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 123.791 0.682 . . . . 65.1 110.442 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HG13 ' A' ' 75' ' ' ILE . 65.7 mt -58.42 -43.36 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 123.158 0.286 . . . . 74.43 110.717 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.25 -43.7 83.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.562 0.745 . . . . 61.42 110.759 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.7 mm100 -60.24 -50.52 73.33 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.292 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 71' ' ' ALA . 95.9 t -66.01 -39.63 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.299 1.04 . . . . 74.44 112.246 -171.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 87.2 mt -67.68 -37.41 82.31 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.094 0.473 . . . . 64.21 110.532 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.74 -35.99 60.03 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.504 -0.771 . . . . 71.03 110.469 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -80.62 -16.18 54.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.778 0.831 . . . . 73.32 111.628 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.26 59.62 6.67 Favored Glycine 0 C--N 1.349 1.289 0 O-C-N 123.166 0.291 . . . . 72.34 112.769 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.561 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -127.32 172.65 10.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.461 0.705 . . . . 75.05 109.519 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -91.92 142.86 27.09 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 109.342 -0.614 . . . . 74.32 109.342 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.76 132.47 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.225 0.61 . . . . 74.13 110.462 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.532 ' HB3' HG12 ' A' ' 50' ' ' ILE . 43.7 tp -115.08 124.58 51.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.219 1.008 . . . . 73.4 108.341 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 63' ' ' ILE . 37.6 mm -106.46 123.88 61.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 123.712 0.805 . . . . 73.31 109.278 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 78.9 mt -121.16 133.01 55.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.69 1.196 . . . . 60.12 107.972 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -156.14 143.06 18.89 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.835 -0.802 . . . . 63.33 108.835 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.5 p -64.17 -29.51 70.62 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.76 0.824 . . . . 54.31 110.98 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -92.12 109.74 21.1 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.168 -0.924 . . . . 74.24 109.2 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.26 -12.53 59.96 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 71.41 112.218 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -72.49 -38.52 68.14 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 108.683 -0.858 . . . . 60.15 108.683 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.0 mt -66.83 -47.41 82.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.983 -0.747 . . . . 74.44 108.983 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 30.1 mm -52.25 -45.42 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 124.054 0.846 . . . . 75.05 110.659 175.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.62 -37.72 79.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.826 0.45 . . . . 71.43 111.732 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -60.75 -38.25 84.56 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.296 0.569 . . . . 62.32 110.166 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.38 -33.61 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.881 -1.054 . . . . 74.14 111.091 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 71.6 mtp85 -68.27 -49.1 62.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.644 0.378 . . . . 74.44 111.492 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -73.71 -33.19 64.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.877 -0.601 . . . . 71.1 111.808 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -80.4 -37.85 31.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.559 0.344 . . . . 60.21 111.272 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.26 101.77 31.11 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.279 0.632 . . . . 74.25 109.349 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 -39.99 5.33 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.299 1.999 . . . . 64.51 114.013 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -75.51 -15.14 60.43 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.608 0.966 . . . . 63.22 113.608 -168.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.736 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -76.15 141.38 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 122.461 0.305 . . . . 63.44 110.554 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -83.23 136.3 34.45 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.825 -0.806 . . . . 63.15 108.825 169.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 10.0 p -139.72 147.46 40.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.831 0.452 . . . . 72.14 110.772 -173.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.751 HH11 ' HB2' ' A' ' 107' ' ' ALA . 55.9 ttt180 -160.91 139.3 9.86 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.621 0.768 . . . . 72.32 108.989 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -69.55 131.69 45.07 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.936 -0.764 . . . . 75.21 108.936 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.15 104.55 4.3 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.655 -1.239 . . . . 35.21 107.655 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -86.78 -52.25 5.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.898 0.479 . . . . 55.24 110.376 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -92.44 152.1 19.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.498 -0.774 . . . . 75.34 109.802 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 13' ' ' ILE . 39.3 pttt -60.97 -20.07 61.89 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.587 1.155 . . . . 64.02 112.27 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -54.64 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 72.3 110.598 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.84 -34.19 72.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.019 0.928 . . . . 70.34 111.595 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.561 HG21 HD12 ' A' ' 13' ' ' ILE . 48.2 t -68.09 -60.21 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 O-C-N 123.712 0.632 . . . . 75.22 110.544 -177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.9 pttt -64.47 -31.4 72.6 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.487 0.492 . . . . 72.24 111.209 -174.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.87 -58.02 8.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.842 1.257 . . . . 73.31 111.277 168.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.751 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -63.31 -32.27 73.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.527 0.731 . . . . 44.41 111.399 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.506 ' HA ' HD13 ' A' ' 50' ' ' ILE . 60.2 t -58.65 -53.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 O-C-N 124.103 0.877 . . . . 75.32 109.549 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 78.3 tt0 -58.74 -43.66 90.29 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.867 0.729 . . . . 75.41 111.006 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -61.96 -38.73 89.61 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.6 0.76 . . . . 72.45 111.835 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.61 -32.58 73.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.977 0.911 . . . . 74.42 110.254 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 82.5 mt -82.64 -27.21 31.52 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.031 -0.986 . . . . 74.43 112.462 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mttm -62.16 -44.73 95.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.877 0.471 . . . . 61.04 110.613 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.473 0.702 0 CA-C-N 115.842 -0.617 . . . . 75.41 110.521 175.461 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.6 tptt . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 120.642 0.258 . . . . 74.44 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.93 122.42 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.436 1.095 . . . . 63.32 108.347 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 HD12 ' A' ' 37' ' ' ILE . 58.2 t -128.62 138.11 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.686 0.794 . . . . 73.21 110.235 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.505 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.6 t80 -114.31 144.6 42.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.597 0.759 . . . . 75.23 108.993 170.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -136.64 140.51 42.84 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.783 1.233 . . . . 61.42 108.893 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -157.43 160.64 38.56 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.563 0.745 . . . . 54.13 109.613 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.43 -44.43 74.97 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.523 -0.917 . . . . 75.43 108.523 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.88 144.17 27.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 113.592 -1.64 . . . . 61.24 112.174 -163.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.28 -48.0 58.73 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.352 1.061 . . . . 73.33 112.146 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.73 -33.59 70.41 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.284 0.633 . . . . 73.24 111.381 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.7 mm -61.93 -52.86 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.163 -0.926 . . . . 65.03 109.351 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 30' ' ' THR . 37.2 mt -59.43 -37.01 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.987 1.315 . . . . 74.01 111.732 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.79 -42.47 85.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.215 0.606 . . . . 62.5 110.488 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 60.3 mm-40 -66.37 -43.65 85.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.87 0.868 . . . . 71.0 111.769 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 HG11 ' A' ' 108' ' ' VAL . 39.5 t -63.54 -49.93 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.092 -0.958 . . . . 61.25 111.267 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -70.61 -26.36 63.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.932 0.893 . . . . 34.52 110.939 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -67.56 -53.22 30.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.51 0.724 . . . . 74.31 110.129 174.52 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -66.62 -38.38 86.83 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.997 0.427 . . . . 71.43 109.889 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.42 97.03 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.02 -0.991 . . . . 73.33 111.159 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.37 -48.77 79.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.706 0.802 . . . . 75.51 110.713 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 13.5 mm-40 -61.76 -41.12 97.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.628 0.771 . . . . 72.22 112.337 -177.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -90.63 -8.04 51.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.179 0.437 . . . . 73.12 112.179 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.86 6.4 72.47 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.803 -0.443 . . . . 55.43 113.938 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 29.7 m-85 -71.08 121.41 18.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.301 0.64 . . . . 65.33 110.162 175.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.67 119.41 30.88 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.279 0.631 . . . . 73.4 109.357 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 112' ' ' LEU . 29.8 mt -129.6 140.02 50.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 C-N-CA 123.955 0.902 . . . . 72.32 108.989 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 5' ' ' VAL . 61.1 tp60 -92.53 108.93 20.34 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.231 -1.026 . . . . 71.23 108.231 170.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 6' ' ' PHE . 59.7 p -98.13 140.17 32.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.45 0.7 . . . . 73.12 109.893 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -152.1 152.06 31.87 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.299 0.64 . . . . 74.14 110.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -101.79 -24.47 14.05 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.955 0.902 . . . . 73.33 109.828 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -84.76 101.01 11.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.514 -0.55 . . . . 75.11 109.514 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -65.89 -28.71 69.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.452 1.101 . . . . 61.44 112.834 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -69.12 -36.85 77.95 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.276 0.631 . . . . 62.11 110.988 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.51 -42.92 99.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.748 1.219 . . . . 72.12 110.114 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.438 HD12 HG11 ' A' ' 5' ' ' VAL . 42.4 mm -68.45 -41.34 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 114.886 -1.052 . . . . 52.22 111.108 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.64 HG23 ' HG3' ' A' ' 65' ' ' GLN . 80.6 mt -59.06 -39.44 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.305 1.042 . . . . 65.52 109.854 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 37.0 t70 -63.39 -41.92 98.78 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.138 0.899 . . . . 73.25 110.632 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -69.18 -33.19 72.99 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.21 0.604 . . . . 64.53 111.253 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.78 -29.55 64.59 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.613 0.765 . . . . 74.24 110.411 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -72.77 -26.44 61.54 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.854 0.862 . . . . 72.4 110.817 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 64.9 mtt-85 -85.17 -12.65 52.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.31 0.644 . . . . 73.03 111.645 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 62.91 30.14 16.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.134 0.974 . . . . 65.42 111.081 -175.358 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -88.26 -2.79 58.81 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.38 0.672 . . . . 61.04 112.809 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.33 125.91 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 122.83 0.452 . . . . 73.13 109.995 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.48 -52.27 7.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.068 0.947 . . . . 73.15 110.414 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 ptm -139.38 139.25 37.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.328 -0.851 . . . . 73.41 109.185 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.1 tt -141.2 145.06 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.468 0.707 . . . . 63.11 109.685 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 108' ' ' VAL . 62.0 mt -129.78 128.01 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.454 -1.313 . . . . 72.01 107.454 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 62' ' ' ILE . 40.4 t -127.19 115.84 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.283 0.633 . . . . 51.31 110.192 -175.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 27.0 tptp -97.02 105.68 17.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.645 -0.872 . . . . 62.12 108.645 170.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 51' ' ' VAL . 9.0 t -160.49 144.81 14.14 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.454 -0.943 . . . . 74.22 108.454 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -99.06 -10.36 22.69 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.856 0.462 . . . . 65.0 109.897 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.98 101.94 2.3 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.691 0.796 . . . . 72.11 109.249 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -54.54 -35.4 63.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.074 1.35 . . . . 60.11 113.065 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 48.0 mm-40 -61.94 -49.0 77.87 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.471 -0.566 . . . . 60.11 109.471 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 m -65.56 -43.98 88.14 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.443 0.697 . . . . 60.23 111.248 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.53 -56.69 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.888 0.875 . . . . 71.41 110.242 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -59.43 -42.89 92.94 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.365 1.041 . . . . 62.42 111.008 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 32.7 mm-40 -51.63 -58.76 5.45 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.23 0.956 . . . . 73.03 111.024 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.596 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -57.35 -48.77 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.308 1.005 . . . . 75.4 110.493 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.0 mt -56.79 -49.05 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 123.819 0.699 . . . . 75.14 110.899 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -55.18 -41.67 72.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.143 0.977 . . . . 73.32 110.62 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HG3' HG23 ' A' ' 38' ' ' ILE . 30.2 mm-40 -74.21 -28.94 61.5 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.348 -0.842 . . . . 73.22 112.044 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 71' ' ' ALA . 62.0 t -75.18 -35.23 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.859 0.864 . . . . 71.41 110.347 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 80.1 mt -66.68 -43.18 85.13 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.738 -0.838 . . . . 74.44 108.738 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.08 -36.08 82.84 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.936 -1.029 . . . . 34.34 110.852 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 22.5 t -76.6 -25.0 53.44 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.832 -0.622 . . . . 72.0 111.588 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 51.88 48.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.399 -0.68 . . . . 72.11 111.399 -170.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.59 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -118.08 173.39 6.81 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.052 0.941 . . . . 72.44 110.792 -174.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 141.55 28.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.927 0.891 . . . . 74.42 108.6 173.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 93' ' ' VAL . 6.8 p -143.31 137.0 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.999 0.52 . . . . 71.12 111.23 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 34.2 tp -117.46 115.68 25.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.363 1.065 . . . . 72.35 108.473 171.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 95' ' ' THR . 37.4 mm -97.2 121.86 48.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 123.654 0.781 . . . . 75.02 109.506 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.3 mt -116.33 119.8 36.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.789 1.236 . . . . 61.3 107.951 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -136.44 143.23 43.78 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.679 -1.23 . . . . 64.54 107.679 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -66.42 -33.74 76.38 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.558 0.536 . . . . 73.02 111.378 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -89.55 127.64 35.91 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.628 0.771 . . . . 63.04 111.325 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.62 -32.5 73.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.808 1.243 . . . . 73.51 112.731 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -76.26 -30.34 57.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.318 0.647 . . . . 71.13 110.167 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.6 mt -71.56 -46.88 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 109.376 -0.601 . . . . 73.11 109.376 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.742 HG22 ' HE ' ' A' ' 87' ' ' ARG . 24.9 mm -55.18 -36.68 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.1 0.56 . . . . 62.21 110.577 171.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.56 -45.74 85.79 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.657 1.183 . . . . 71.23 111.902 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 m -64.74 -38.0 89.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.966 0.506 . . . . 63.11 110.791 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 82' ' ' ILE . 40.7 mm -68.52 -34.49 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.521 -0.763 . . . . 62.2 110.618 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HE ' HG22 ' A' ' 83' ' ' ILE . 35.2 mtm180 -69.17 -42.33 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.547 0.739 . . . . 74.04 112.446 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.63 -29.51 36.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.437 0.295 . . . . 55.34 111.69 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.47 -40.5 17.64 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.92 0.39 . . . . 63.21 110.574 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -119.55 101.16 48.96 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 108.789 -0.819 . . . . 74.11 108.789 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.92 -34.53 10.57 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.026 1.817 . . . . 72.3 113.168 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -84.38 -10.51 57.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.414 0.894 . . . . 75.2 113.414 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.719 HG23 HG13 ' A' ' 73' ' ' VAL . 7.5 p -74.96 129.94 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.767 0.427 . . . . 72.42 110.353 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 9.1 mm-40 -68.29 115.58 7.9 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.315 -0.994 . . . . 74.5 108.315 167.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.54 ' HB ' HG23 ' A' ' 83' ' ' ILE . 12.5 p -124.35 146.8 48.61 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.546 0.739 . . . . 73.41 109.811 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -158.29 129.52 6.5 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.104 -0.953 . . . . 72.25 108.685 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' NH1' ' HG3' ' A' ' 99' ' ' GLN . 2.0 ttp85 -67.42 128.88 38.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.978 -0.749 . . . . 75.0 108.978 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.62 114.72 6.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.011 -1.107 . . . . 72.44 108.011 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.484 ' HG3' ' NH1' ' A' ' 97' ' ' ARG . 30.1 mt-30 -97.43 -56.27 2.58 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.272 0.358 . . . . 72.41 110.154 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.7 152.44 21.34 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.601 -0.518 . . . . 71.4 109.601 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HB3' HD13 ' A' ' 13' ' ' ILE . 54.3 pttt -61.28 -21.14 63.66 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.359 1.064 . . . . 64.12 112.75 -177.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 28.9 mm-40 -64.47 -50.65 66.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.285 0.634 . . . . 74.4 110.59 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.78 -29.86 70.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.543 -1.208 . . . . 75.0 111.327 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.514 HG11 HG23 ' A' ' 13' ' ' ILE . 61.9 t -69.81 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 123.374 0.67 . . . . 73.14 110.67 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.5 pttt -62.13 -33.54 74.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.503 0.502 . . . . 71.1 111.164 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.79 -51.08 71.26 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.786 0.834 . . . . 74.55 111.002 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.72 83.83 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.114 0.884 . . . . 65.03 111.256 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.703 HG11 HG13 ' A' ' 17' ' ' VAL . 75.7 t -61.92 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 73.11 109.751 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.405 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 30.0 tt0 -49.85 -41.98 46.4 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.599 1.16 . . . . 72.25 111.357 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.1 -47.8 83.94 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.554 1.542 . . . . 72.1 110.874 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -68.2 -33.14 73.88 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.796 1.238 . . . . 63.32 111.031 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 77.2 mt -71.03 -34.39 71.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.296 1.038 . . . . 64.31 111.861 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -55.93 -36.86 68.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.563 0.745 . . . . 72.13 112.928 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.48 1.057 0 C-N-CA 123.099 0.56 . . . . 74.44 111.236 175.313 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.758 0 N-CA-C 109.905 -0.406 . . . . 74.15 109.905 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 48' ' ' MET . 15.4 t -90.45 116.84 32.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.057 -0.974 . . . . 72.53 108.784 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -121.56 113.07 37.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -88.08 135.5 33.39 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.421 -0.585 . . . . 74.43 109.421 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.448 HD13 HG13 ' A' ' 37' ' ' ILE . 43.7 tp -122.47 136.33 54.87 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.218 1.407 . . . . 74.11 108.132 174.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.8 t -155.49 144.3 20.57 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.934 -0.765 . . . . 72.43 108.934 167.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 -14.83 57.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.114 0.566 . . . . 62.04 110.724 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.06 142.69 37.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.6 0.76 . . . . 74.55 110.95 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.68 -52.0 35.77 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.589 1.156 . . . . 64.2 112.771 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.29 -34.16 68.39 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.636 0.774 . . . . 64.45 111.509 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 104' ' ' VAL . 43.3 mm -63.18 -51.99 64.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 115.175 -0.921 . . . . 52.02 109.763 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -41.16 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.444 1.098 . . . . 75.11 111.024 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.76 -38.54 86.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.654 0.782 . . . . 63.33 112.116 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 63.1 mm-40 -73.65 -38.02 65.12 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.353 0.661 . . . . 74.41 112.044 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.31 -36.94 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.203 0.601 . . . . 74.13 110.58 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -68.42 -35.83 78.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.682 0.793 . . . . 61.44 110.383 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -68.09 -49.49 60.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.259 0.623 . . . . 64.45 109.773 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -38.45 76.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.944 0.898 . . . . 62.24 111.211 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -57.55 12.5 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.115 -0.948 . . . . 63.3 109.971 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.12 -42.81 81.58 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 124.228 0.955 . . . . 74.4 111.771 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -58.01 -49.53 76.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 73.31 111.669 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 38.0 mm-40 -80.97 -7.39 59.52 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.075 0.398 . . . . 74.0 112.075 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.25 43.96 7.76 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 122.808 0.242 . . . . 75.23 113.062 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.47 129.51 56.53 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.099 0.96 . . . . 64.43 109.572 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.15 74.61 1.78 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.665 -0.865 . . . . 74.41 108.665 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.42 134.45 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.33 -0.85 . . . . 65.31 109.81 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.559 ' HG2' HH22 ' A' ' 40' ' ' ARG . 20.8 tp60 -79.1 109.78 13.74 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 108.666 -0.864 . . . . 72.03 108.666 170.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.6 p -96.8 144.02 27.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.518 . . . . 75.24 109.918 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -148.3 149.38 31.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.054 0.941 . . . . 73.04 109.644 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' SER . 25.5 t-20 -103.41 -34.08 8.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.903 0.881 . . . . 72.15 110.75 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -83.97 112.72 20.43 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.187 0.595 . . . . 51.43 111.176 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 10.4 ptpp? -68.51 -34.32 75.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.146 0.979 . . . . 74.42 112.176 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.09 -38.21 90.0 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.381 0.672 . . . . 75.25 111.374 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.9 tt0 -59.19 -47.63 84.6 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.413 -0.812 . . . . 62.44 109.404 174.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.555 HD13 ' HD3' ' A' ' 40' ' ' ARG . 37.0 mm -64.75 -41.6 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 114.838 -1.074 . . . . 73.43 111.987 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 88.0 mt -55.37 -39.75 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.507 0.723 . . . . 55.31 109.994 175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.31 -32.91 63.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.524 -1.216 . . . . 52.22 111.692 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.559 HH22 ' HG2' ' A' ' 29' ' ' GLN . 47.5 mtp180 -73.11 -30.74 63.85 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.089 0.555 . . . . 74.34 110.396 177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -72.17 -31.26 65.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.223 -0.898 . . . . 75.14 110.575 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 93.2 mttt -59.12 -32.63 70.01 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 120.956 0.408 . . . . 35.4 111.066 171.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -84.16 -6.01 59.34 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.01 -0.995 . . . . 63.12 111.692 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 60.91 27.04 16.91 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.76 1.224 . . . . 72.32 110.514 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -79.94 -16.55 55.04 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.156 0.983 . . . . 75.12 112.002 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.425 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.8 mt -108.39 132.83 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.609 0.764 . . . . 64.51 109.841 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 18.1 t70 -88.8 -41.49 12.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.713 0.768 . . . . 52.33 110.208 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 4' ' ' VAL . 8.0 ptp -145.62 136.25 24.28 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.731 -1.122 . . . . 64.44 108.825 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.425 ' HB ' HG21 ' A' ' 46' ' ' ILE . 3.8 tt -133.04 138.68 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 123.857 0.863 . . . . 73.31 109.017 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG21 HG22 ' A' ' 108' ' ' VAL . 57.8 mt -126.36 108.42 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 108.236 -1.024 . . . . 72.53 108.236 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 62' ' ' ILE . 60.7 t -101.01 135.29 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.662 0.785 . . . . 63.01 110.147 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 13' ' ' ILE . 46.3 tptt -124.79 106.01 9.72 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.79 -0.818 . . . . 55.34 108.79 172.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -170.02 162.12 8.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.339 1.456 . . . . 55.25 107.599 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.57 -8.3 21.11 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.06 0.544 . . . . 73.52 111.185 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -70.12 93.17 0.79 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 109.542 -0.54 . . . . 72.12 109.542 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' A' ' 82' ' ' ILE . 54.0 mtpt -57.08 -34.12 67.98 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.098 1.359 . . . . 73.23 112.865 -170.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.07 -44.95 75.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.925 -1.034 . . . . 74.42 110.943 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 93.3 p -73.06 -43.08 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.035 -0.529 . . . . 71.25 110.633 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 75' ' ' ILE . 87.7 mt -50.05 -49.27 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.013 0.925 . . . . 51.43 110.349 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -50.17 -46.63 54.39 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.43 1.081 . . . . 72.41 111.281 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 30.0 mm-40 -66.63 -44.24 82.54 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.292 0.637 . . . . 72.03 111.499 -176.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.69 -55.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 O-C-N 123.66 0.6 . . . . 62.2 109.855 174.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.61 -42.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 124.12 0.887 . . . . 74.24 111.138 -175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -57.15 -43.93 82.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.495 0.718 . . . . 75.04 111.039 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.3 mm100 -65.46 -41.62 93.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.701 0.626 . . . . 65.12 110.79 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 71' ' ' ALA . 58.0 t -67.62 -39.38 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 63.32 111.343 -177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.343 0.657 . . . . 73.42 109.647 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.98 -41.45 96.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.885 -1.052 . . . . 71.12 110.407 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -75.83 -29.14 58.52 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 63.42 111.51 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.18 33.8 43.54 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.421 -0.354 . . . . 34.32 112.451 -173.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.9 172.16 7.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.706 0.802 . . . . 62.43 110.57 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.6 mppt? -89.47 144.31 26.14 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.921 -0.77 . . . . 73.41 108.921 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.678 HG13 HG23 ' A' ' 93' ' ' VAL . 2.6 p -143.22 129.04 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.316 0.646 . . . . 63.25 110.831 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.3 tp -113.08 120.15 40.33 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.23 -1.026 . . . . 55.44 108.23 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 59' ' ' ILE . 36.4 mm -99.64 121.34 50.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.16 -0.681 . . . . 74.31 109.16 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.97 119.48 36.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.318 1.047 . . . . 71.43 108.338 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -140.01 143.97 36.7 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.102 -1.073 . . . . 71.44 108.102 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -69.2 -35.16 75.93 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.764 0.425 . . . . 65.15 110.951 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.85 125.14 34.79 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.356 -0.838 . . . . 51.15 110.376 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.19 -21.38 62.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.159 0.984 . . . . 74.53 112.875 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -80.95 -30.24 35.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.645 0.378 . . . . 75.43 110.051 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.517 HG23 ' HG2' ' A' ' 56' ' ' LYS . 59.9 mt -62.27 -51.52 71.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.625 -0.88 . . . . 70.3 108.625 170.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.565 HG23 ' HB ' ' A' ' 95' ' ' THR . 34.7 mm -51.5 -45.82 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 124.314 1.009 . . . . 72.23 110.796 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.35 -46.83 88.53 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.264 0.625 . . . . 71.1 111.055 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.4 m -58.53 -39.53 80.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.2 0.6 . . . . 42.15 110.985 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.547 HG22 HG11 ' A' ' 93' ' ' VAL . 35.7 mm -68.73 -35.15 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.726 0.811 . . . . 74.43 111.307 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 59.1 mtm180 -69.7 -43.64 72.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.7 0.4 . . . . 74.43 111.511 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -75.67 -34.35 60.46 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 116.536 -0.302 . . . . 74.45 111.363 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.36 -50.84 50.33 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.069 0.548 . . . . 60.4 110.525 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.616 ' O ' HG12 ' A' ' 93' ' ' VAL . 50.6 m-85 -124.11 91.64 49.32 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 123.614 0.765 . . . . 75.42 109.15 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.75 -10.44 27.77 Favored 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 121.869 1.713 . . . . 71.14 113.764 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -85.19 -13.97 48.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.986 0.735 . . . . 74.12 112.986 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 73' ' ' VAL . 7.3 p -77.2 150.68 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.185 0.448 . . . . 71.43 110.363 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.49 131.11 37.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.369 -1.345 . . . . 63.21 107.369 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.565 ' HB ' HG23 ' A' ' 83' ' ' ILE . 28.2 p -129.56 151.32 50.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.239 0.616 . . . . 74.34 110.443 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 140.27 11.52 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.8 -0.815 . . . . 73.33 108.8 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.13 124.44 29.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.161 -1.052 . . . . 72.13 108.161 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.67 104.89 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.684 -1.228 . . . . 62.12 107.684 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -78.46 -61.46 2.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.047 0.451 . . . . 74.31 109.896 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.59 170.06 8.26 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.533 -0.758 . . . . 75.0 109.531 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -52.4 -27.2 14.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.369 1.867 . . . . 73.14 113.941 -174.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -78.86 -37.07 41.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.532 0.733 . . . . 71.52 111.844 -173.217 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.46 -29.71 69.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.822 0.449 . . . . 75.31 111.576 170.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HD12 ' A' ' 13' ' ' ILE . 39.8 t -68.54 -53.59 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 N-CA-C 109.78 -0.452 . . . . 73.34 109.78 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.51 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.1 pttt -65.36 -34.97 79.57 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.422 0.452 . . . . 74.04 111.116 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -52.88 -54.27 36.97 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.184 0.994 . . . . 72.53 111.378 168.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -62.38 -36.95 83.89 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.257 -0.883 . . . . 71.34 112.062 -175.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 50' ' ' ILE . 78.1 t -64.06 -52.0 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 O-C-N 124.144 0.903 . . . . 64.14 110.249 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.54 -48.41 72.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.076 0.95 . . . . 72.43 111.387 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.73 -44.41 90.46 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.707 1.203 . . . . 71.12 110.861 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 39.9 t80 -65.05 -41.83 94.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.222 1.009 . . . . 74.01 111.262 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 19.3 mt -75.43 -39.95 58.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.819 -0.628 . . . . 54.42 111.175 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.06 -25.03 62.46 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 74.32 111.407 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 112.69 0.626 . . . . 72.43 112.69 172.057 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.494 0.187 . . . . 72.1 110.617 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.415 HG11 HD21 ' A' ' 112' ' ' LEU . 16.1 t -96.47 123.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 N-CA-C 108.929 -0.767 . . . . 61.3 108.929 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 29' ' ' GLN . 69.7 t -123.5 118.37 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.843 -0.799 . . . . 72.15 108.843 174.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.2 t80 -96.36 120.92 37.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.21 0.604 . . . . 74.44 109.424 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 37' ' ' ILE . 55.0 tp -110.05 135.2 51.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.373 1.069 . . . . 74.35 108.929 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 58.5 m -154.33 146.87 24.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.561 0.744 . . . . 73.42 110.615 173.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.08 14.41 14.15 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.673 0.789 . . . . 62.41 111.043 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -142.81 130.09 20.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.413 0.685 . . . . 71.34 109.83 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.25 -43.1 78.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.588 0.755 . . . . 64.31 112.581 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -56.08 -36.69 68.38 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.461 0.704 . . . . 70.15 111.207 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 HG21 ' A' ' 104' ' ' VAL . 47.0 mm -67.7 -51.39 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 115.423 -0.808 . . . . 61.34 109.941 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.28 -43.07 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.452 1.101 . . . . 75.43 111.187 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.03 -41.93 70.19 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.419 0.688 . . . . 72.12 111.751 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 30.4 mm-40 -63.32 -43.67 97.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.322 0.649 . . . . 65.3 111.596 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 86.2 t -70.48 -40.74 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.775 -0.648 . . . . 63.41 110.822 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -58.32 -37.96 76.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.887 . . . . 73.23 110.482 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.2 -54.4 21.42 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 115.129 -0.941 . . . . 72.32 110.813 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -62.92 -40.38 97.42 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.564 0.54 . . . . 64.22 110.783 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.39 93.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.96 -1.018 . . . . 73.24 110.933 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.12 -48.01 83.51 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.779 0.675 . . . . 72.34 110.779 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.14 -43.67 74.38 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.915 0.886 . . . . 64.12 111.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -82.2 -17.24 46.87 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.863 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.88 15.53 65.15 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-O 119.938 -0.368 . . . . 73.35 113.241 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.41 110.18 5.18 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.202 0.601 . . . . 74.13 110.611 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.8 92.91 0.71 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.528 0.731 . . . . 72.15 109.881 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 112' ' ' LEU . 29.6 mt -117.29 130.75 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.661 -0.496 . . . . 64.04 109.661 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.515 ' HB3' HG22 ' A' ' 5' ' ' VAL . 22.1 tp60 -88.07 113.35 23.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.662 -0.866 . . . . 72.13 108.662 170.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 6' ' ' PHE . 41.1 p -97.99 148.91 23.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 110.049 -0.352 . . . . 74.32 110.049 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.7 t -151.87 151.18 30.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.888 0.875 . . . . 72.14 110.384 -176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 8' ' ' SER . 26.8 t-20 -96.75 -49.39 5.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.004 0.922 . . . . 72.24 109.671 168.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.62 105.41 1.87 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.374 -1.285 . . . . 73.12 111.126 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 17.5 ptpt -71.94 -28.28 63.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.168 0.987 . . . . 74.12 113.461 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.41 -36.03 80.46 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.133 0.271 . . . . 73.1 111.123 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.9 tt0 -63.05 -45.33 92.72 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 109.794 -0.447 . . . . 65.51 109.794 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 7' ' ' LEU . 51.9 mm -66.51 -38.04 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.129 -0.941 . . . . 52.2 111.483 -172.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' HG3' ' A' ' 65' ' ' GLN . 88.3 mt -58.69 -39.67 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.918 0.887 . . . . 73.43 110.208 172.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 28.5 t70 -71.67 -30.66 65.96 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.356 -0.838 . . . . 34.43 110.956 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.7 mtp180 -70.82 -35.02 72.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.764 0.426 . . . . 63.31 110.075 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 66' ' ' VAL . 61.4 mt -67.1 -34.98 78.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.19 0.596 . . . . 70.11 110.596 174.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.569 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -61.49 -36.49 80.63 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.774 0.83 . . . . 72.42 111.149 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.7 mtt-85 -83.22 -5.59 59.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.65 0.78 . . . . 73.42 112.562 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 22.02 12.82 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.212 1.005 . . . . 75.24 110.545 -172.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.65 -20.22 63.59 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.565 1.546 . . . . 73.14 112.057 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.9 mt -113.3 131.61 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 123.85 0.86 . . . . 74.05 109.645 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -86.66 -39.82 15.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.675 0.79 . . . . 75.34 110.662 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.575 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 16.5 ptm -151.28 132.66 14.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.268 -0.878 . . . . 61.41 109.449 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.501 ' HB ' HG21 ' A' ' 46' ' ' ILE . 6.3 tt -131.74 141.09 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.999 0.92 . . . . 71.04 109.311 -172.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.493 HG21 HG22 ' A' ' 108' ' ' VAL . 67.4 mt -128.51 115.05 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 107.908 -1.145 . . . . 73.02 107.908 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.59 HG21 HG21 ' A' ' 62' ' ' ILE . 40.7 t -112.26 116.39 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.575 0.75 . . . . 63.52 110.543 -173.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 29.3 tptp -102.35 105.79 16.45 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.481 -0.933 . . . . 74.4 108.481 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.471 HG22 HG12 ' A' ' 51' ' ' VAL . 13.7 t -163.41 161.32 24.3 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 74.54 108.994 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -119.61 13.27 12.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.788 0.835 . . . . 72.24 110.057 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.69 101.49 13.19 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.928 -0.768 . . . . 75.0 108.928 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG2' HG23 ' A' ' 82' ' ' ILE . 45.8 mtmt -54.05 -43.86 70.58 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.278 1.031 . . . . 71.14 112.793 -174.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 29.9 mm-40 -60.96 -43.91 98.07 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.157 0.91 . . . . 74.15 111.231 -172.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 79.5 p -74.31 -41.92 60.35 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.638 0.586 . . . . 72.32 110.992 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.483 HG23 HD12 ' A' ' 75' ' ' ILE . 83.9 mt -49.56 -50.82 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.79 0.836 . . . . 64.43 110.212 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 t -54.66 -44.62 73.43 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 124.728 1.267 . . . . 71.44 110.868 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 22.2 mm-40 -61.38 -47.31 86.43 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 123.669 0.606 . . . . 72.44 111.135 -178.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.59 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.46 -55.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 124.073 0.858 . . . . 73.23 109.53 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 53.2 mt -58.46 -42.79 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 124.111 0.882 . . . . 74.03 111.11 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -56.25 -42.92 78.15 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.072 0.949 . . . . 54.42 111.022 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.585 ' HG3' HG23 ' A' ' 38' ' ' ILE . 9.7 mm100 -80.12 -27.49 39.14 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.267 -0.879 . . . . 70.31 111.596 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 89.1 t -72.65 -44.58 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.073 0.549 . . . . 71.25 110.227 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 94.5 mt -60.35 -42.58 96.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.565 0.746 . . . . 64.12 109.906 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.53 -31.41 68.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.31 -0.859 . . . . 71.42 110.574 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -75.08 -25.34 58.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.571 0.749 . . . . 74.04 110.817 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 34.06 64.84 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.239 -0.437 . . . . 62.24 112.579 -173.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -101.2 -179.01 3.91 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.144 0.978 . . . . 52.5 110.716 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.575 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 4.0 mppt? -95.14 146.64 24.16 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.189 0.596 . . . . 70.21 109.532 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.84 132.69 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.048 0.939 . . . . 74.42 110.895 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.8 tp -119.39 113.93 21.56 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.33 1.052 . . . . 71.32 108.558 173.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 59' ' ' ILE . 42.9 mm -92.84 123.17 44.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 123.705 0.802 . . . . 64.54 109.651 176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.31 120.46 37.71 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.915 1.286 . . . . 74.54 107.735 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -137.39 141.57 41.71 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.377 -0.971 . . . . 44.14 108.377 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -33.75 74.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.184 0.516 . . . . 72.11 111.176 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.69 124.04 33.14 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.337 -0.847 . . . . 70.23 110.847 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' A' ' 97' ' ' ARG . 29.7 tt0 -73.32 -24.77 60.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.973 -1.012 . . . . 70.14 112.367 -176.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -72.45 -32.5 66.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.321 -0.622 . . . . 74.0 109.321 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.5 mt -68.46 -47.97 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.569 0.748 . . . . 74.15 109.374 174.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 28.1 mm -50.97 -45.86 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 O-C-N 124.023 0.827 . . . . 73.21 110.368 173.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -62.65 -45.66 91.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.741 0.816 . . . . 64.23 111.641 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.2 m -57.29 -42.05 80.98 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.967 0.507 . . . . 42.41 110.693 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' ILE . 38.9 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-N 114.999 -1.001 . . . . 75.45 110.902 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 47.7 mtm180 -72.01 -48.09 47.19 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.65 0.38 . . . . 71.42 111.804 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.1 -31.18 67.47 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.617 -0.265 . . . . 74.15 111.616 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -73.57 -53.41 10.59 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.729 -0.471 . . . . 73.22 109.729 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -120.02 104.11 44.42 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.336 0.654 . . . . 74.32 110.612 -172.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -71.33 -30.32 15.76 Favored 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.275 1.984 . . . . 72.14 113.285 169.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 5.32 11.09 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 113.93 1.085 . . . . 72.55 113.93 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.717 HG23 HG13 ' A' ' 73' ' ' VAL . 11.6 p -104.54 143.37 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.276 0.489 . . . . 74.23 110.845 174.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.56 129.75 34.79 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.553 -0.906 . . . . 71.33 108.553 166.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 20.0 p -128.63 145.59 51.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.576 0.751 . . . . 72.23 109.406 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.57 128.78 8.22 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.338 -0.986 . . . . 60.13 108.338 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 70.7 ttt180 -67.29 126.52 29.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.11 -0.7 . . . . 73.23 109.11 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.566 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -137.52 108.28 6.64 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 107.868 -1.16 . . . . 74.23 107.868 -177.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.61 -40.57 6.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.959 0.904 . . . . 74.34 109.437 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m-20 -90.5 136.61 32.95 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.467 -1.242 . . . . 74.54 109.516 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -63.0 -27.55 69.5 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.573 0.749 . . . . 73.52 111.474 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.8 pt-20 -67.05 -40.89 87.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.619 0.768 . . . . 75.2 110.791 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.14 -26.11 64.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.173 0.589 . . . . 73.13 112.236 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 13' ' ' ILE . 60.1 t -72.35 -54.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 110.216 -0.29 . . . . 73.31 110.216 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.526 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.7 pttt -65.02 -30.14 71.1 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.285 0.366 . . . . 64.14 111.049 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 36.7 t70 -58.29 -57.33 13.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.918 0.762 . . . . 64.51 110.231 166.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.54 68.11 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.858 0.863 . . . . 75.25 112.468 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 50' ' ' ILE . 92.8 t -64.86 -54.41 30.16 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 O-C-N 124.338 1.024 . . . . 55.44 109.634 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.89 -35.48 76.76 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.876 0.735 . . . . 62.52 111.451 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 5.6 mm-40 -67.99 -43.75 78.2 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.497 0.719 . . . . 74.21 110.12 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.37 -31.11 72.19 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.794 0.838 . . . . 75.42 110.3 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 76.1 mt -78.21 -50.12 12.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.05 0.94 . . . . 63.23 111.628 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -65.99 -35.07 79.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.144 0.577 . . . . 71.21 112.166 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 111.66 0.245 . . . . 60.24 111.66 177.633 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 16.9 tppt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.292 -0.633 . . . . 62.22 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -99.85 125.86 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 107.6 -1.259 . . . . 72.4 107.6 167.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.6 t -120.74 121.99 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 109.251 -0.648 . . . . 73.04 109.251 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.7 t80 -94.9 106.43 18.42 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.57 -0.9 . . . . 73.11 108.57 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 HG13 ' A' ' 37' ' ' ILE . 59.5 tp -102.65 129.52 49.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.061 0.944 . . . . 73.32 108.901 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 66.9 m -148.68 157.19 43.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.665 . . . . 70.12 109.986 174.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -105.81 4.6 29.99 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.688 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.04 125.68 51.7 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.586 -0.697 . . . . 64.01 109.138 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.02 -38.84 92.25 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.479 1.112 . . . . 74.03 112.94 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.75 -50.53 70.69 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.414 -0.587 . . . . 71.11 109.414 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 52' ' ' LYS . 50.3 mm -49.56 -51.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 114.32 -1.309 . . . . 75.53 111.658 172.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 30' ' ' THR . 85.4 mt -56.36 -48.69 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.71 0.804 . . . . 73.35 110.947 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.51 -34.77 70.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.346 0.658 . . . . 74.42 112.57 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 101' ' ' LYS . 24.5 mm-40 -64.09 -47.02 81.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.439 0.696 . . . . 72.3 111.08 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 105' ' ' LYS . 61.5 t -77.22 -32.28 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 115.644 -0.707 . . . . 75.5 111.279 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -64.3 -46.02 85.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.718 0.807 . . . . 64.14 110.293 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.0 tppt? -62.86 -45.44 92.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.88 -1.055 . . . . 74.03 110.125 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 109' ' ' GLU . 56.1 tttp -57.99 -46.1 85.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.278 0.631 . . . . 74.15 111.846 176.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.92 72.54 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.588 0.755 . . . . 61.12 111.275 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.78 -47.37 53.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.53 0.732 . . . . 71.42 110.382 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 70.8 mm-40 -61.3 -45.89 92.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.518 0.727 . . . . 74.11 111.753 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -76.39 -21.48 55.99 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.085 -0.507 . . . . 74.02 111.795 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.57 67.84 Favored Glycine 0 C--N 1.343 0.931 0 O-C-N 123.522 0.514 . . . . 74.51 113.072 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 121.4 14.87 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.426 -0.583 . . . . 70.01 109.426 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.21 92.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.095 0.558 . . . . 64.02 109.659 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.44 HD11 HD11 ' A' ' 112' ' ' LEU . 31.8 mt -134.02 127.1 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.794 0.838 . . . . 73.2 110.271 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.1 tp60 -89.71 113.65 25.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 170.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 6' ' ' PHE . 38.8 p -97.14 130.88 44.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 73.14 109.285 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 t -152.13 160.06 43.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.883 0.473 . . . . 62.53 111.194 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' SER . 42.0 t30 -105.47 -46.89 4.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.209 1.004 . . . . 71.41 111.178 -178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.11 109.62 8.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.598 0.759 . . . . 72.42 110.327 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HB2' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -70.32 -21.63 62.9 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.825 0.676 . . . . 65.02 112.825 -178.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.8 -37.52 73.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.189 0.596 . . . . 74.32 111.978 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.62 -38.92 70.73 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.208 1.003 . . . . 75.43 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.412 HG13 HD13 ' A' ' 7' ' ' LEU . 44.9 mm -68.07 -36.17 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 115.246 -0.888 . . . . 75.33 110.669 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -58.24 -41.9 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.055 1.342 . . . . 61.33 110.452 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 32.2 t70 -63.32 -35.82 81.63 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.93 0.892 . . . . 65.22 111.294 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.83 -32.51 57.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.736 0.415 . . . . 62.21 110.787 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.32 -35.36 80.1 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.131 0.573 . . . . 62.21 110.768 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 58.3 mtpt -63.98 -30.85 71.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.798 0.839 . . . . 71.2 111.379 175.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -86.17 -5.74 59.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.558 0.743 . . . . 73.21 111.787 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 64.22 20.27 12.11 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.568 1.147 . . . . 75.44 110.334 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.38 -19.83 59.32 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.728 1.211 . . . . 55.02 111.193 -170.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 55.0 mt -105.25 124.4 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.158 0.983 . . . . 72.24 108.67 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -78.39 -42.33 30.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.28 0.632 . . . . 75.34 110.859 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.11 138.67 19.6 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.463 -0.79 . . . . 70.33 109.698 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -135.89 142.62 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.329 0.652 . . . . 65.42 109.81 -175.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.4 mt -124.01 109.11 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.072 0.949 . . . . 64.15 108.673 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 62' ' ' ILE . 41.3 t -104.35 121.81 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.534 1.133 . . . . 72.24 110.286 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 13' ' ' ILE . 43.7 tptt -115.68 106.82 14.33 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.305 1.042 . . . . 75.14 108.874 173.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 51' ' ' VAL . 6.4 t -162.74 150.52 13.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.081 1.353 . . . . 73.14 108.495 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -13.29 31.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.221 0.608 . . . . 71.42 111.222 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.11 107.85 15.13 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.832 -0.803 . . . . 71.13 108.832 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 59' ' ' ILE . 61.1 pttt -60.12 -25.05 65.16 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.421 1.088 . . . . 74.13 113.131 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.37 -33.7 42.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.959 0.503 . . . . 73.42 110.003 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -70.95 -40.56 71.93 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.257 0.623 . . . . 63.31 109.432 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.553 HG23 HD12 ' A' ' 75' ' ' ILE . 88.8 mt -56.47 -51.74 61.22 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 C-N-CA 124.243 1.017 . . . . 71.02 110.211 171.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.6 t -54.74 -47.35 73.94 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.799 -1.546 . . . . 55.2 111.063 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 34.8 mm-40 -49.3 -52.74 25.71 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 124.428 1.08 . . . . 70.32 112.265 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 34' ' ' LYS . 1.8 mp -59.48 -47.62 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 123.74 0.65 . . . . 72.25 110.232 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 61.0 mt -62.49 -34.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.714 0.633 . . . . 74.14 110.914 -177.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' SER . 27.2 mtpp -61.45 -44.29 97.37 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.405 0.682 . . . . 75.43 109.929 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 6.7 mm100 -69.2 -28.6 66.53 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 115.306 -0.861 . . . . 51.04 110.882 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.16 -26.35 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.805 0.842 . . . . 55.04 110.985 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.2 mt -70.77 -36.42 73.07 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.888 -0.782 . . . . 75.22 108.888 173.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.57 -44.13 68.03 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 114.983 -1.008 . . . . 44.51 112.124 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -82.58 -55.52 4.41 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.092 0.472 . . . . 63.51 111.362 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.53 38.78 3.38 Favored Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.606 -0.725 . . . . 65.14 111.576 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.07 178.63 6.14 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.625 0.77 . . . . 71.2 110.488 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -87.57 144.1 26.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.252 -1.018 . . . . 44.31 108.252 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 93' ' ' VAL . 7.3 p -143.92 132.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.26 0.552 . . . . 73.43 110.237 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.7 tp -113.23 136.31 52.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.253 -1.017 . . . . 74.54 108.253 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.553 HD12 HG23 ' A' ' 59' ' ' ILE . 36.9 mm -117.82 119.4 61.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 123.82 0.848 . . . . 74.52 109.266 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 93.4 mt -118.52 121.64 40.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.669 1.188 . . . . 74.5 108.022 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.3 t -143.76 147.35 34.04 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.168 -0.679 . . . . 43.1 109.168 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -67.82 -37.23 81.66 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.749 0.655 . . . . 74.32 110.106 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.54 109.59 10.4 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 115.092 -0.958 . . . . 61.44 110.077 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.49 -28.99 66.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.433 1.093 . . . . 74.34 110.683 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.25 -34.58 70.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.781 0.433 . . . . 72.1 110.018 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' A' ' 86' ' ' ILE . 59.5 mt -74.03 -37.18 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.987 0.515 . . . . 73.34 110.396 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 26.4 mm -56.6 -44.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.673 -0.492 . . . . 63.04 109.673 171.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.655 0.782 . . . . 71.2 110.756 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.9 m -59.48 -45.06 92.74 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.994 0.809 . . . . 70.14 111.193 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.9 mm -68.41 -31.64 52.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.519 -0.764 . . . . 72.45 110.914 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 48.2 mtm105 -75.63 -40.58 56.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.941 0.497 . . . . 73.34 112.121 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 ptmt -76.24 -29.05 57.38 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.6 0.36 . . . . 64.12 110.973 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -76.4 -54.85 6.16 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.542 -0.54 . . . . 74.31 109.542 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -112.91 101.46 53.24 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.259 1.024 . . . . 74.52 109.472 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.5 -29.46 20.31 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.511 2.14 . . . . 74.04 113.825 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.74 -29.95 51.39 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.776 0.658 . . . . 50.2 112.776 -171.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 73' ' ' VAL . 9.4 p -68.24 133.06 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 122.733 0.413 . . . . 75.43 111.322 -172.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -73.03 135.95 44.97 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.109 -0.701 . . . . 61.43 109.109 168.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 75' ' ' ILE . 1.9 p -146.98 145.11 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.99 1.316 . . . . 71.33 108.497 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -162.51 146.66 11.84 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 109.332 -0.618 . . . . 75.15 109.332 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -67.5 128.86 38.0 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.138 -0.69 . . . . 53.41 109.138 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -143.36 106.32 4.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.122 -1.436 . . . . 54.32 107.122 173.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -94.85 -56.86 2.62 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.921 -0.77 . . . . 60.41 108.921 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.89 155.74 18.52 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.58 -1.191 . . . . 64.03 108.763 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -58.21 -26.82 63.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 63.34 112.673 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.55 -45.43 87.12 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 109.876 -0.416 . . . . 74.24 109.876 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.7 -36.14 80.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.068 0.947 . . . . 73.54 111.2 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 13' ' ' ILE . 46.8 t -70.15 -59.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.818 0.699 . . . . 64.11 110.597 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 17' ' ' VAL . 61.3 pttt -67.33 -32.84 74.07 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.427 0.454 . . . . 65.53 111.866 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.55 -51.63 66.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.916 0.886 . . . . 74.44 110.747 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.234 0.614 . . . . 73.31 111.881 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.528 ' HA ' HD13 ' A' ' 50' ' ' ILE . 69.2 t -64.42 -57.26 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 122.906 0.482 . . . . 75.2 109.8 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' HB2' ' HE3' ' A' ' 20' ' ' LYS . 27.3 tt0 -58.36 -37.39 75.12 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 123.973 0.796 . . . . 71.54 110.907 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.27 -39.2 89.26 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 114.774 -1.103 . . . . 64.13 110.52 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -72.64 -30.27 64.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.424 0.69 . . . . 64.25 110.545 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 4' ' ' VAL . 68.9 mt -71.55 -48.23 49.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.778 0.831 . . . . 54.21 110.886 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.65 -37.18 70.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.525 0.73 . . . . 64.44 111.895 -176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 123.049 0.54 . . . . 64.22 111.751 177.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.242 0.695 0 CA-C-O 120.86 0.362 . . . . 63.55 110.693 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.48 122.11 45.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 114.6 -1.182 . . . . 74.14 108.206 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 37' ' ' ILE . 78.1 t -117.35 120.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.37 -0.604 . . . . 74.13 109.37 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -96.05 104.89 16.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.211 -0.663 . . . . 72.12 109.211 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 55.2 tp -95.07 112.8 24.46 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.982 -0.747 . . . . 71.44 108.982 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -132.85 142.98 49.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.203 -0.666 . . . . 72.43 109.203 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.16 2.66 55.93 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.452 0.701 . . . . 74.13 110.054 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -128.39 130.14 47.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.748 0.819 . . . . 62.14 110.275 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -67.21 -46.93 72.39 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.673 0.789 . . . . 73.42 112.418 -175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -50.96 -37.5 44.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.762 0.825 . . . . 75.44 111.553 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 104' ' ' VAL . 47.9 mm -69.26 -52.0 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.388 -1.278 . . . . 73.42 110.56 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG23 ' HB ' ' A' ' 30' ' ' THR . 84.8 mt -57.91 -40.59 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.335 1.054 . . . . 75.13 111.781 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -46.6 88.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.81 0.844 . . . . 72.14 111.005 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.648 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.2 mm-40 -65.78 -47.38 75.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.214 -0.903 . . . . 72.2 111.914 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 105' ' ' LYS . 70.9 t -64.97 -42.08 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.451 0.7 . . . . 53.51 111.169 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 -37.39 72.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.269 0.628 . . . . 53.14 111.764 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -72.78 -39.32 66.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.577 0.351 . . . . 75.21 110.999 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.15 -42.88 96.59 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.859 -0.61 . . . . 62.31 110.357 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.88 78.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.597 0.759 . . . . 75.51 110.82 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.5 -50.02 74.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.822 0.849 . . . . 71.03 110.39 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.9 -32.98 74.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.648 0.779 . . . . 72.54 112.626 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.67 -5.99 50.22 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.33 0.493 . . . . 72.14 112.33 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.89 67.65 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 114.022 0.369 . . . . 55.44 114.022 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -90.06 117.88 29.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.032 0.933 . . . . 73.42 110.964 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.84 94.74 8.8 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.697 -1.223 . . . . 63.54 107.697 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.93 129.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.724 -0.61 . . . . 61.01 109.56 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 5' ' ' VAL . 64.5 tp60 -75.51 105.79 6.72 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.215 -1.032 . . . . 64.54 108.215 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 14' ' ' ILE . 32.7 p -98.07 129.37 44.91 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.48 -0.933 . . . . 63.12 108.48 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.5 t -152.92 155.21 36.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.774 0.43 . . . . 75.04 110.998 -170.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -104.68 -13.6 15.88 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.352 1.061 . . . . 61.51 109.862 170.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 37' ' ' ILE . 6.3 m-20 -75.11 78.96 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.239 1.016 . . . . 74.25 110.929 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -33.93 73.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.336 0.654 . . . . 72.53 111.362 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 123.332 0.653 . . . . 75.35 110.337 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 29.5 tt0 -65.94 -49.06 69.25 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.017 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 5' ' ' VAL . 35.8 mm -62.84 -38.55 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 123.68 0.792 . . . . 75.14 111.484 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.629 HG23 ' HG3' ' A' ' 65' ' ' GLN . 43.2 mt -55.58 -44.17 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.826 0.85 . . . . 73.21 110.537 171.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 28.2 t70 -71.37 -29.68 65.25 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.544 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.36 -29.77 59.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.991 0.516 . . . . 74.23 110.274 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.84 -41.52 97.81 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.192 0.597 . . . . 72.31 109.736 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' A' ' 38' ' ' ILE . 67.6 mttm -59.54 -37.77 79.27 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.352 0.661 . . . . 74.14 111.105 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.7 mtt180 -80.9 -8.23 59.68 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.45 0.7 . . . . 75.35 112.851 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 69' ' ' SER . 10.1 mmm180 65.96 17.52 10.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.505 0.722 . . . . 65.21 111.921 -174.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.0 -21.62 61.54 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.152 0.981 . . . . 73.1 111.872 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.4 mt -105.14 126.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.45 0.7 . . . . 41.41 109.752 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -83.71 -46.73 11.95 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.282 0.563 . . . . 61.42 109.906 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 ptm -144.23 140.02 29.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.322 -0.854 . . . . 74.3 109.497 -175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.5 tt -138.58 140.24 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.917 0.887 . . . . 64.15 109.809 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.497 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -127.63 117.4 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.1 -1.074 . . . . 72.35 108.1 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 49.1 t -109.31 124.77 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.29 0.636 . . . . 75.02 110.644 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HG2' HG21 ' A' ' 13' ' ' ILE . 27.7 tptp -116.33 107.62 15.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.344 0.658 . . . . 73.4 109.4 172.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 59' ' ' ILE . 10.0 t -165.33 152.47 10.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.219 1.008 . . . . 74.1 108.626 174.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.54 2.59 56.36 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.026 0.53 . . . . 52.14 110.888 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -86.22 89.55 7.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.63 -0.878 . . . . 74.35 108.63 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HB3' HG23 ' A' ' 82' ' ' ILE . 21.4 pttm -62.35 -26.8 68.65 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.954 0.902 . . . . 72.43 112.373 -173.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.32 -49.04 68.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.038 0.535 . . . . 64.3 110.345 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -67.12 -40.2 86.78 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.609 0.568 . . . . 73.0 110.183 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.567 HG23 HD12 ' A' ' 75' ' ' ILE . 81.1 mt -52.01 -52.83 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 124.191 0.932 . . . . 74.15 110.317 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.6 t -59.53 -31.08 69.07 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.153 -0.93 . . . . 74.33 111.78 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -70.38 -43.85 69.25 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.839 0.455 . . . . 71.44 110.894 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -56.2 -47.92 80.12 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 N-CA-C 109.515 -0.55 . . . . 74.31 109.515 174.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 63.1 mt -61.01 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 123.719 0.637 . . . . 63.14 111.181 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 60' ' ' SER . 61.8 mttp -55.62 -44.36 76.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.939 0.496 . . . . 72.42 110.422 174.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 38' ' ' ILE . 44.2 mm-40 -73.06 -25.29 60.86 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.048 -0.978 . . . . 62.54 112.687 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 73' ' ' VAL . 76.0 t -75.92 -34.06 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.095 0.558 . . . . 53.15 110.624 174.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 79.3 mt -71.31 -38.65 71.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.339 -0.615 . . . . 73.0 109.339 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.63 -39.77 94.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.412 1.085 . . . . 73.41 111.439 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.483 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . 77.6 p -82.41 -32.51 29.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.995 0.518 . . . . 63.2 111.388 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.23 37.87 35.85 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.77 -0.65 . . . . 64.51 112.129 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -88.03 174.5 8.24 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.648 0.779 . . . . 71.53 110.934 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 132.85 43.51 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.919 -1.141 . . . . 72.24 107.919 175.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 66' ' ' VAL . 9.8 p -133.81 137.84 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-O 121.492 0.663 . . . . 73.41 112.572 -175.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.497 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.2 tp -120.72 126.12 49.37 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.727 1.211 . . . . 63.43 108.03 171.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.657 ' HB ' HG22 ' A' ' 95' ' ' THR . 41.1 mm -109.47 127.16 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.559 -0.534 . . . . 73.54 109.559 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -126.31 133.23 51.45 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.555 1.142 . . . . 72.4 108.169 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.2 p -150.6 156.94 42.36 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.883 0.473 . . . . 71.23 109.867 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -82.26 13.58 3.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.93 0.892 . . . . 71.11 112.646 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HB3' HD12 ' A' ' 82' ' ' ILE . 21.6 t70 -139.12 128.96 24.86 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.235 0.614 . . . . 72.02 110.214 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.66 -33.17 75.27 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.613 1.165 . . . . 75.05 112.777 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -74.05 -31.43 62.87 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.55 0.34 . . . . 70.55 110.209 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 56' ' ' LYS . 88.1 mt -66.06 -48.01 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.405 -0.591 . . . . 74.12 109.405 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mm -55.1 -41.34 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.017 0.527 . . . . 74.13 110.781 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.17 -48.73 72.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.078 0.551 . . . . 74.41 111.449 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.437 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 51.7 p -61.12 -38.74 87.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.843 0.457 . . . . 65.45 111.108 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.485 HG22 HG11 ' A' ' 93' ' ' VAL . 22.9 mm -65.88 -37.77 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.35 -0.841 . . . . 75.05 110.918 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -78.98 -25.97 43.39 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.283 0.846 . . . . 73.44 113.283 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.9 pttt -94.16 -20.27 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.381 0.992 . . . . 63.23 111.341 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.19 -52.4 16.69 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.006 -0.738 . . . . 63.31 109.006 163.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 93' ' ' VAL . 51.5 m-85 -120.11 96.37 49.27 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.122 -0.945 . . . . 71.42 108.721 -176.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.13 -17.47 40.39 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.464 2.109 . . . . 63.33 113.819 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -100.68 4.65 43.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.281 0.845 . . . . 73.0 113.281 -174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 90' ' ' TYR . 13.4 p -79.75 139.74 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 118.212 0.46 . . . . 71.15 109.929 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -86.29 129.87 34.71 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.348 -0.982 . . . . 74.34 108.348 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.657 HG22 ' HB ' ' A' ' 75' ' ' ILE . 46.5 p -137.01 169.1 18.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.002 0.521 . . . . 52.23 110.284 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 52.7 ttt85 -159.23 133.76 7.88 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.959 -1.126 . . . . 71.02 107.959 165.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.73 122.52 18.26 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.413 -0.958 . . . . 73.1 108.413 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.12 103.41 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.673 -1.232 . . . . 50.41 107.673 -176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.22 -50.54 7.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.458 -0.792 . . . . 72.53 110.0 -176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -93.62 152.57 18.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.453 -0.794 . . . . 71.41 109.754 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -59.3 -27.27 65.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.607 1.563 . . . . 62.44 113.295 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.28 -45.25 81.13 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.861 0.465 . . . . 65.2 110.739 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.86 -34.18 75.53 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.31 0.644 . . . . 74.24 111.022 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.637 HG21 HD12 ' A' ' 13' ' ' ILE . 46.1 t -66.31 -54.65 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.316 -0.856 . . . . 61.21 110.501 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 66.1 pttt -61.73 -37.21 83.37 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.684 0.615 . . . . 72.44 111.358 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.19 -41.81 89.73 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.798 0.439 . . . . 74.33 111.613 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.464 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -64.02 -34.37 77.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.16 0.584 . . . . 53.33 110.774 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 59.3 t -61.29 -57.17 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.003 0.921 . . . . 74.12 109.761 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.17 -35.8 72.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.659 0.599 . . . . 75.54 111.045 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.71 -48.24 80.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.81 0.844 . . . . 70.33 110.085 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 74' ' ' LEU . 43.6 t80 -64.51 -33.17 75.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.418 1.087 . . . . 54.23 110.731 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 85.1 mt -77.51 -42.91 33.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.516 0.726 . . . . 75.22 112.299 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.9 -22.85 52.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.844 0.458 . . . . 51.23 112.015 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 . . . . . 0 CA--C 1.543 0.678 0 CA-C-N 116.329 -0.396 . . . . 72.04 110.532 169.365 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.2 tptt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.242 -0.281 . . . . 75.24 110.242 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.59 126.73 45.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.867 0.867 . . . . 72.22 108.713 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -129.26 120.08 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.677 -0.861 . . . . 74.04 108.677 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -94.26 126.22 39.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.503 -0.554 . . . . 73.12 109.503 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.405 HD13 HG13 ' A' ' 37' ' ' ILE . 56.2 tp -113.44 135.72 53.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.554 -1.276 . . . . 71.11 107.554 174.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 t -150.47 155.22 39.11 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.855 -0.424 . . . . 52.14 109.855 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.15 -30.37 17.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.369 -0.832 . . . . 73.2 109.468 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.37 124.31 33.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.743 -0.662 . . . . 73.22 109.738 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.77 -38.97 92.69 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.691 0.619 . . . . 73.11 110.952 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.02 -39.65 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.966 0.906 . . . . 73.31 110.57 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 52' ' ' LYS . 45.1 mm -73.95 -44.73 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.208 -1.36 . . . . 62.41 110.551 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 30' ' ' THR . 83.3 mt -54.05 -44.65 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.971 0.908 . . . . 71.15 110.56 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.82 -46.3 85.75 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.152 0.981 . . . . 65.45 112.027 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 27.6 mm-40 -71.32 -36.84 71.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.568 0.747 . . . . 72.33 112.678 -176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -71.62 -39.23 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.889 -0.412 . . . . 71.32 109.889 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -64.99 -35.49 81.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.281 0.632 . . . . 71.14 110.56 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -64.97 -58.43 6.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.691 0.796 . . . . 62.54 109.742 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' HD2' ' A' ' 105' ' ' LYS . 23.6 tptm -56.69 -44.13 81.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.464 1.105 . . . . 72.24 111.382 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -53.88 53.33 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.906 -1.043 . . . . 73.41 111.172 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.43 -35.7 81.72 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.31 0.644 . . . . 71.43 111.628 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -59.35 -43.66 92.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.12 0.568 . . . . 73.4 111.26 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.23 1.91 56.75 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.978 0.733 . . . . 75.21 112.978 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 28.93 63.02 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 113.822 0.289 . . . . 65.13 113.822 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -90.45 114.3 26.42 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.836 0.854 . . . . 74.54 110.937 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.2 95.72 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.768 -0.827 . . . . 63.12 108.768 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 112' ' ' LEU . 43.5 mt -125.31 116.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.254 -0.647 . . . . 41.41 109.254 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.9 tp60 -76.99 111.8 12.94 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.225 -0.657 . . . . 74.24 109.225 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 14' ' ' ILE . 10.5 p -96.57 130.27 43.8 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.543 0.737 . . . . 64.41 109.425 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -147.59 160.99 42.03 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.44 0.696 . . . . 73.31 110.738 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -116.24 -25.05 7.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.64 1.176 . . . . 72.3 109.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -81.26 91.04 6.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 121.162 0.506 . . . . 72.31 110.155 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.11 -33.48 75.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.392 1.077 . . . . 64.02 112.46 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.0 -30.08 64.87 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.08 0.552 . . . . 74.14 111.421 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.1 tt0 -61.96 -49.16 77.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.291 -0.633 . . . . 75.44 109.291 169.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 7' ' ' LEU . 50.8 mm -61.26 -39.99 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 114.729 -1.123 . . . . 74.55 111.565 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 65' ' ' GLN . 89.2 mt -57.82 -45.57 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.257 1.023 . . . . 62.41 110.602 174.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.43 -36.87 83.76 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.788 -1.096 . . . . 74.33 111.485 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.05 -31.7 61.36 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 73.44 111.054 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 46' ' ' ILE . 88.0 mt -64.23 -35.57 81.25 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.303 0.641 . . . . 70.1 110.452 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.35 -34.09 76.0 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.506 0.722 . . . . 73.51 111.396 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -85.32 -1.16 56.67 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 75.31 112.32 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 62.84 22.14 13.23 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 124.101 0.96 . . . . 73.44 110.567 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -75.29 -20.87 58.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.976 1.31 . . . . 74.31 110.967 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' A' ' 41' ' ' LEU . 35.4 mt -117.12 128.55 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.061 0.944 . . . . 70.21 109.464 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -90.02 -36.68 14.79 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.843 0.857 . . . . 72.34 110.476 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 ptm -150.79 136.67 18.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.673 -1.149 . . . . 73.44 109.417 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.9 tt -134.49 144.39 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.79 0.836 . . . . 74.52 109.634 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.507 HD12 HG13 ' A' ' 108' ' ' VAL . 62.9 mt -130.55 123.55 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.088 -1.078 . . . . 72.33 108.088 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 40.0 t -118.62 119.64 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.383 0.673 . . . . 74.23 110.453 -171.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.4 tptp -103.91 106.93 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 73.44 108.922 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 51' ' ' VAL . 11.6 t -167.62 150.08 5.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.935 . . . . 72.24 109.062 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -97.78 -0.52 45.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.774 0.83 . . . . 60.25 110.34 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -74.58 94.74 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 174.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 82' ' ' ILE . 46.3 mtmt -55.04 -34.25 63.36 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.796 1.238 . . . . 75.31 112.58 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 42.8 mt-10 -74.53 -33.99 62.89 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.102 0.961 . . . . 73.24 110.984 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -67.26 -51.02 58.14 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.645 -0.502 . . . . 71.24 109.645 172.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.3 mt -50.91 -46.21 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 124.546 1.154 . . . . 73.35 110.142 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.9 t -53.15 -52.59 58.25 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.023 -1.444 . . . . 71.3 111.785 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 22.4 mm-40 -65.61 -44.48 86.4 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.367 0.667 . . . . 75.34 111.816 -174.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.48 -49.6 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 O-C-N 123.695 0.622 . . . . 71.15 110.173 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 75' ' ' ILE . 76.7 mt -60.25 -41.29 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 75.14 111.095 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -56.64 -42.07 78.26 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.198 0.599 . . . . 73.33 110.835 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HG3' HG23 ' A' ' 38' ' ' ILE . 15.4 mm100 -68.09 -34.38 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.406 -0.815 . . . . 73.2 111.506 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 71' ' ' ALA . 94.6 t -76.46 -28.81 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.514 0.725 . . . . 74.54 111.149 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -71.18 -41.32 70.5 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.75 -0.833 . . . . 61.53 108.75 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.25 -43.53 97.76 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 72.12 110.976 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -85.71 -21.9 28.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.263 0.625 . . . . 62.21 112.073 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 33.72 75.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 123.352 0.407 . . . . 54.25 112.144 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -86.86 -178.88 6.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.543 0.737 . . . . 63.21 111.026 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.33 141.98 29.76 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.735 -0.839 . . . . 73.3 108.735 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.779 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.07 137.34 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.054 0.454 . . . . 61.45 110.745 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.8 tp -121.45 115.94 23.8 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.354 -0.98 . . . . 73.43 108.354 172.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.552 HG13 HD11 ' A' ' 63' ' ' ILE . 37.7 mm -93.93 123.5 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.251 -0.648 . . . . 73.24 109.251 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 93.7 mt -118.93 120.54 37.58 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.728 -1.212 . . . . 65.34 107.728 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -137.29 141.77 41.93 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.937 -1.134 . . . . 51.22 107.937 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -67.98 -37.99 82.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.727 0.642 . . . . 71.12 110.342 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 18.9 t70 -83.18 118.33 23.53 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.283 -0.871 . . . . 74.02 109.457 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.44 -24.37 62.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.998 -1.001 . . . . 72.2 111.883 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -72.67 -32.73 66.04 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.163 -0.68 . . . . 73.15 109.163 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.558 HG23 ' HG2' ' A' ' 56' ' ' LYS . 68.1 mt -65.87 -49.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.406 -0.815 . . . . 62.3 109.111 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 27.0 mm -52.43 -44.56 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 123.537 0.523 . . . . 73.3 111.321 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -69.82 -34.57 73.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.41 0.684 . . . . 70.23 111.403 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -68.91 -36.72 78.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.237 0.615 . . . . 73.22 110.09 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 82' ' ' ILE . 45.4 mm -69.97 -28.18 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.044 0.538 . . . . 71.02 110.246 177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -71.01 -44.03 66.71 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.539 0.335 . . . . 63.32 111.843 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.11 82.78 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 120.459 0.171 . . . . 72.52 111.056 -178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.37 -39.3 65.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.337 0.655 . . . . 75.22 111.135 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -135.69 94.69 14.73 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.722 0.809 . . . . 73.34 109.4 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.18 -22.37 19.22 Favored 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 122.206 1.937 . . . . 74.14 112.814 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -68.49 -31.76 71.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.991 0.917 . . . . 64.44 113.036 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.779 HG23 HG13 ' A' ' 73' ' ' VAL . 7.6 p -77.87 137.96 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.799 0.44 . . . . 65.23 111.653 -173.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.55 116.03 12.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.042 -0.725 . . . . 72.53 109.042 165.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 23.0 p -117.7 153.02 34.07 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 123.791 0.837 . . . . 62.4 109.284 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -162.28 135.07 5.87 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.292 0.637 . . . . 62.13 109.563 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.4 126.08 28.48 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.949 -0.76 . . . . 75.41 108.949 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.63 106.41 4.47 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.972 -1.121 . . . . 65.32 107.972 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.39 -52.11 3.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.742 0.817 . . . . 75.22 109.809 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.04 151.43 22.26 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.384 -1.28 . . . . 71.44 109.33 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -50.63 -33.94 24.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.491 1.516 . . . . 63.22 112.718 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.555 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 6.2 pt-20 -69.61 -43.11 73.39 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.619 0.574 . . . . 74.24 110.841 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.51 -35.92 80.91 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.779 0.674 . . . . 75.1 111.162 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 13' ' ' ILE . 38.8 t -71.78 -57.86 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.635 0.584 . . . . 63.02 110.484 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 63.6 pttt -64.28 -34.17 77.51 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.503 0.557 . . . . 74.14 112.503 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 1.9 m-20 -72.69 -37.78 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.212 0.605 . . . . 73.54 111.367 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.19 83.29 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.79 0.436 . . . . 64.43 110.626 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 50' ' ' ILE . 76.2 t -60.87 -51.22 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 114.866 -1.061 . . . . 64.33 109.602 175.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 35.7 tt0 -58.85 -39.77 82.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.084 -0.962 . . . . 74.22 112.155 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.0 mt-10 -71.53 -35.43 70.69 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.913 0.885 . . . . 74.33 111.355 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -67.33 -26.05 66.31 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.907 -1.042 . . . . 55.12 109.81 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.5 HD11 HD11 ' A' ' 28' ' ' ILE . 65.9 mt -82.63 -36.35 26.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.472 1.109 . . . . 62.22 112.012 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.7 mttm -59.93 -46.99 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.53 0.732 . . . . 75.21 111.417 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 115.888 -0.596 . . . . 71.24 110.166 -179.47 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 tptm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.267 0.079 . . . . 74.31 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 112' ' ' LEU . 12.0 t -89.12 126.24 42.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.773 1.295 . . . . 51.45 109.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 29' ' ' GLN . 84.3 t -130.37 119.39 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.736 -0.839 . . . . 75.25 108.736 172.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.574 ' HB3' HG22 ' A' ' 30' ' ' THR . 88.2 t80 -95.1 145.88 24.68 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.384 -0.599 . . . . 74.55 109.384 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -136.54 135.24 38.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.11 . . . . 74.43 108.899 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.6 t -158.55 159.23 35.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.527 0.731 . . . . 73.05 109.404 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.84 -17.47 24.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.471 0.709 . . . . 63.31 110.701 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.02 130.43 54.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.241 0.617 . . . . 75.33 110.078 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -77.41 -30.62 53.61 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 112.603 0.594 . . . . 71.04 112.603 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.75 -32.47 67.49 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.176 0.512 . . . . 74.33 110.197 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.479 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.9 mm -71.63 -49.62 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 114.981 -1.009 . . . . 64.34 109.917 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.28 -39.92 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 52.03 111.779 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.26 -36.33 82.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.201 0.6 . . . . 72.4 111.534 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 58.8 mm-40 -70.6 -40.5 73.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.098 0.559 . . . . 65.54 111.477 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 108' ' ' VAL . 71.4 t -68.69 -40.62 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.308 0.38 . . . . 52.44 110.743 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.1 t -69.17 -34.66 75.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.227 0.611 . . . . 74.41 110.867 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -73.1 -43.99 61.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.165 0.586 . . . . 74.13 110.117 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -54.96 -52.12 64.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.678 0.791 . . . . 73.33 109.918 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.98 85.97 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.775 -1.102 . . . . 71.11 111.25 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.49 -53.14 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.437 0.695 . . . . 61.13 111.206 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.1 -35.87 82.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.05 -0.523 . . . . 51.44 111.233 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 24.6 mm-40 -83.43 -14.54 52.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.214 0.45 . . . . 70.3 112.214 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 12.89 70.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.895 -0.392 . . . . 63.53 113.859 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -79.17 122.75 26.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.112 0.565 . . . . 73.03 110.414 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.21 106.53 15.07 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.854 -0.795 . . . . 74.2 108.854 170.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 112' ' ' LEU . 46.7 mt -120.8 131.66 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.255 -1.017 . . . . 62.31 108.255 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 5' ' ' VAL . 27.9 tp60 -86.19 109.21 18.74 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.59 -0.893 . . . . 72.21 108.59 173.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.2 p -97.99 146.69 25.25 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.931 -0.396 . . . . 71.33 109.931 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -145.65 151.29 37.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.353 0.661 . . . . 74.35 111.194 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -97.75 -28.73 13.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.511 0.724 . . . . 64.01 111.27 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -100.5 116.13 31.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.961 0.504 . . . . 73.15 110.727 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -29.23 67.8 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.844 0.858 . . . . 64.53 111.903 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.19 -37.41 80.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.537 0.735 . . . . 71.1 111.32 -172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.0 tt0 -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.173 -1.376 . . . . 71.02 109.572 172.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 7' ' ' LEU . 44.2 mm -67.94 -39.47 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 114.522 -1.217 . . . . 63.44 111.741 -175.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.646 HG23 ' HG3' ' A' ' 65' ' ' GLN . 96.1 mt -59.09 -42.37 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.429 1.092 . . . . 72.24 109.421 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 29.1 t70 -64.67 -40.87 96.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.511 -1.222 . . . . 71.34 111.045 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 72.7 mtp180 -70.83 -30.14 66.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.464 0.306 . . . . 73.33 111.562 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.25 -33.94 74.02 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.608 0.763 . . . . 74.43 110.49 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 38' ' ' ILE . 95.8 mttt -62.91 -40.7 98.4 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.229 0.612 . . . . 60.21 110.231 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 57.8 mtt180 -77.6 -2.41 35.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.696 0.799 . . . . 74.12 111.61 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 69.26 13.88 8.57 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.976 1.311 . . . . 74.11 111.607 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -25.77 66.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.734 1.214 . . . . 73.25 113.07 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' HB ' ' A' ' 49' ' ' ILE . 26.6 mt -107.74 130.83 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.973 -0.38 . . . . 72.24 109.973 -171.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.71 -38.77 9.37 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.143 0.496 . . . . 72.24 110.888 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.8 ptm -143.9 124.47 14.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.811 -1.181 . . . . 74.0 107.811 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.502 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.7 tt -130.15 144.49 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.894 0.878 . . . . 70.11 109.368 -171.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.521 HG21 HG22 ' A' ' 108' ' ' VAL . 63.2 mt -128.98 115.73 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.491 -1.3 . . . . 74.52 107.491 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 62' ' ' ILE . 70.6 t -112.72 119.46 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.187 0.595 . . . . 73.2 109.523 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -105.79 107.93 19.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.23 1.012 . . . . 65.1 108.455 172.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -161.99 152.56 17.39 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.843 0.857 . . . . 73.5 108.927 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.73 -11.02 25.61 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.607 0.763 . . . . 70.23 110.161 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.45 105.86 8.85 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.867 -0.606 . . . . 74.53 109.485 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -53.28 -38.23 62.9 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.765 1.226 . . . . 74.32 112.892 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 13.2 mm-40 -64.18 -48.51 75.66 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.254 -0.647 . . . . 65.34 109.254 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m -62.17 -44.97 95.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.723 0.809 . . . . 74.03 110.903 -176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.528 HG23 HD12 ' A' ' 75' ' ' ILE . 98.9 mt -53.19 -56.95 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.08 -0.964 . . . . 41.24 110.368 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.3 t -59.43 -42.42 91.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.026 -0.988 . . . . 71.11 111.859 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 14.1 mm-40 -61.71 -48.2 81.84 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.9 0.48 . . . . 70.02 110.383 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.77 -48.77 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.711 0.632 . . . . 70.5 110.269 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 86.4 mt -55.22 -46.13 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 123.601 0.563 . . . . 64.53 110.31 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -57.17 -43.0 82.16 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.142 0.901 . . . . 70.15 110.553 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.6 mm100 -73.04 -22.74 60.58 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.507 0.723 . . . . 75.03 112.282 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 73' ' ' VAL . 97.2 t -84.48 -27.68 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.17 0.588 . . . . 65.23 110.484 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 75.2 mt -67.69 -44.2 78.31 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.993 -1.114 . . . . 72.01 107.993 170.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.74 -42.08 78.65 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.407 1.483 . . . . 71.52 110.469 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -79.65 -21.71 44.47 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.793 -0.639 . . . . 53.41 111.928 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.2 28.27 71.94 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 112.024 -0.43 . . . . 61.11 112.024 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.17 179.14 4.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.389 1.076 . . . . 60.24 111.484 -171.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.82 142.0 28.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.668 0.787 . . . . 71.11 109.497 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.748 HG13 HG23 ' A' ' 93' ' ' VAL . 6.7 p -143.83 139.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.263 0.625 . . . . 73.02 110.342 177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' HG12 ' A' ' 50' ' ' ILE . 20.0 tp -118.7 111.8 18.96 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.173 0.989 . . . . 73.34 108.556 172.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.528 HD12 HG23 ' A' ' 59' ' ' ILE . 34.8 mm -88.07 107.29 17.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-N 115.171 -0.922 . . . . 62.2 109.236 173.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.45 121.63 41.42 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.281 -1.007 . . . . 71.25 108.281 170.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 m -138.92 139.87 38.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.214 -1.402 . . . . 63.34 107.214 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 m -69.01 -33.36 73.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.12 0.568 . . . . 54.12 111.462 -174.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.7 130.98 42.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.132 0.973 . . . . 71.22 111.43 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.37 -22.47 59.19 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.503 0.721 . . . . 63.4 112.687 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -76.15 -33.73 59.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 108.867 -0.79 . . . . 71.4 108.867 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 86' ' ' ILE . 55.7 mt -66.15 -50.58 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 109.123 -0.695 . . . . 73.14 109.123 172.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' HB ' ' A' ' 95' ' ' THR . 19.7 mm -50.41 -47.08 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.409 0.684 . . . . 74.11 111.107 173.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -65.14 -38.59 91.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.032 0.933 . . . . 64.52 111.162 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.5 m -63.5 -40.76 97.93 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.145 0.578 . . . . 72.4 110.656 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 82' ' ' ILE . 39.2 mm -68.62 -28.12 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.819 -0.628 . . . . 61.2 110.797 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 45.7 mtm180 -77.38 -41.54 39.8 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.041 0.536 . . . . 73.32 112.163 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -31.47 68.69 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.365 0.266 . . . . 75.13 110.792 -176.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.39 -53.19 7.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.98 0.512 . . . . 74.35 110.362 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.9 m-85 -121.99 96.47 46.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 123.872 0.869 . . . . 74.4 108.886 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.49 -18.06 23.14 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.019 1.812 . . . . 65.15 112.922 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -83.16 -16.18 47.69 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.041 0.936 . . . . 54.33 113.385 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 73' ' ' VAL . 7.7 p -79.75 143.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.672 0.389 . . . . 64.41 110.696 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.97 114.33 14.48 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.446 -0.946 . . . . 75.2 108.446 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.554 ' HB ' HG23 ' A' ' 83' ' ' ILE . 7.3 p -120.49 144.07 48.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.832 0.853 . . . . 73.32 109.655 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -159.55 130.56 5.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.072 -0.513 . . . . 70.35 110.155 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -61.81 130.21 44.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.632 -0.713 . . . . 75.0 109.693 169.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.6 3.94 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.684 -1.228 . . . . 55.3 107.684 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -91.13 -52.12 4.98 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.595 0.358 . . . . 75.1 111.021 -175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 t70 -93.47 153.73 18.31 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.721 0.408 . . . . 75.52 110.406 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 13' ' ' ILE . 49.7 pttt -61.57 -23.42 65.97 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.596 1.158 . . . . 63.12 112.45 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.554 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 31.7 mm-40 -61.33 -51.17 69.97 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 74.25 110.322 169.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.64 -31.1 71.56 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.51 -1.223 . . . . 63.04 111.579 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 13' ' ' ILE . 60.3 t -69.48 -53.7 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.825 0.45 . . . . 72.04 110.635 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.7 pttt -64.51 -34.17 77.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.696 0.398 . . . . 70.21 110.999 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.4 -42.34 98.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.666 0.787 . . . . 71.42 111.229 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.07 81.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.62 0.768 . . . . 72.11 111.369 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 50' ' ' ILE . 70.7 t -64.79 -56.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.318 -0.856 . . . . 74.23 109.46 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 27.9 tt0 -49.99 -41.83 47.82 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 124.384 1.053 . . . . 64.42 110.689 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 8.9 tp10 -61.72 -52.21 65.22 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.053 -0.976 . . . . 72.32 110.379 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.07 -31.71 67.33 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.378 1.071 . . . . 75.11 111.478 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 28' ' ' ILE . 58.3 mt -75.55 -49.95 17.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.861 0.865 . . . . 54.21 111.692 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 9.9 mtmp? -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.501 0.72 . . . . 62.32 111.039 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 11.4 mm-40 . . . . . 0 CA--C 1.551 0.988 0 CA-C-N 115.458 -0.792 . . . . 72.1 111.405 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 53.8 tptt . . . . . 0 C--O 1.239 0.51 0 N-CA-C 110.219 -0.289 . . . . 64.53 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 28' ' ' ILE . 4.2 t -90.74 129.92 40.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.642 -0.873 . . . . 73.12 108.642 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.489 HG11 HD12 ' A' ' 37' ' ' ILE . 54.9 t -126.76 125.73 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 108.453 -0.943 . . . . 72.55 108.453 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HB3' HG22 ' A' ' 30' ' ' THR . 58.7 t80 -106.13 108.61 20.21 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.166 0.586 . . . . 61.22 109.742 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.7 tp -94.17 120.86 35.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.793 -1.188 . . . . 74.32 107.793 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.475 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 47.7 t -127.16 160.91 29.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.38 0.609 . . . . 55.45 110.571 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.19 -26.1 14.67 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.701 -1.136 . . . . 74.45 110.531 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.7 143.42 51.24 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.441 0.696 . . . . 73.43 111.207 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.49 -46.47 86.0 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.449 1.1 . . . . 74.13 113.224 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 101' ' ' LYS . 48.1 mt-10 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.894 -0.41 . . . . 73.12 109.894 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 52' ' ' LYS . 19.5 mm -48.67 -51.55 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 O-C-N 124.321 1.013 . . . . 64.12 111.85 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -54.79 -48.43 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.101 0.961 . . . . 70.05 111.201 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.65 -36.62 81.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.874 0.869 . . . . 74.31 112.03 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 17.3 mm-40 -68.48 -47.38 67.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 74.13 111.604 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.567 HG13 HG11 ' A' ' 108' ' ' VAL . 69.2 t -70.11 -36.83 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.662 -0.699 . . . . 74.23 111.033 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -62.09 -47.07 86.29 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.57 0.748 . . . . 63.32 110.885 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -66.33 -47.36 73.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.464 0.706 . . . . 74.01 110.881 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.6 tppt? -55.39 -53.08 60.73 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.756 0.66 . . . . 70.42 110.502 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.89 88.97 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.576 0.548 . . . . 55.42 112.19 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.2 -49.05 73.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.846 0.858 . . . . 62.52 110.88 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.85 -33.99 75.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.734 -0.666 . . . . 62.32 112.067 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 19.1 mm-40 -80.72 -21.43 41.21 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.347 0.259 . . . . 75.12 111.272 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.18 9.54 59.24 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 114.481 0.552 . . . . 64.01 114.481 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -74.34 132.71 42.28 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 117.526 0.663 . . . . 65.43 109.937 172.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.02 105.47 17.84 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 112' ' ' LEU . 14.4 mt -121.13 119.79 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 122.885 0.474 . . . . 74.51 110.173 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.1 tp60 -82.86 110.43 17.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.563 -0.903 . . . . 60.12 108.563 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 6' ' ' PHE . 36.3 p -97.18 138.01 35.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.898 0.479 . . . . 63.22 109.747 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 t -149.96 163.76 37.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.884 0.874 . . . . 72.44 109.806 -175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.55 -30.16 4.91 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.06 0.944 . . . . 62.44 109.16 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.25 109.36 7.68 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.411 0.684 . . . . 72.43 110.41 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -67.37 -30.62 70.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.282 0.633 . . . . 73.13 112.055 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -61.05 -42.55 98.69 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.344 0.658 . . . . 71.13 110.957 -172.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.9 tp10 -57.82 -52.14 66.69 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.307 1.005 . . . . 74.31 109.733 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.489 HD12 HG11 ' A' ' 5' ' ' VAL . 36.8 mm -66.01 -39.31 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.749 -1.114 . . . . 74.14 112.213 -171.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HG3' ' A' ' 65' ' ' GLN . 91.4 mt -59.52 -41.56 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.322 1.049 . . . . 71.24 109.977 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 31.0 t70 -75.86 -26.57 57.24 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.354 -0.839 . . . . 72.41 111.397 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 52.4 mtp85 -72.69 -33.11 66.27 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 109.781 -0.452 . . . . 64.32 109.781 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 mt -68.59 -31.31 70.4 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.883 -0.599 . . . . 63.12 109.963 172.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 8.9 mtpm? -66.46 -34.18 77.36 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.492 0.717 . . . . 62.34 111.474 169.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 60.5 mtt180 -77.32 -7.24 55.69 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.294 0.637 . . . . 63.43 111.33 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 63.76 17.91 10.79 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.397 1.079 . . . . 74.42 110.506 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -68.71 -28.81 67.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.527 . . . . 71.24 112.144 -168.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.489 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.4 mt -100.49 124.16 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.385 -0.825 . . . . 74.32 110.166 -170.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 8.3 t70 -84.6 -37.68 20.83 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.839 0.855 . . . . 74.02 110.411 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 19.4 ptm -151.41 140.2 20.85 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.658 -1.156 . . . . 75.52 109.067 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.489 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.6 tt -140.21 141.39 33.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.629 0.772 . . . . 65.43 109.367 -172.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 74' ' ' LEU . 64.6 mt -126.04 118.0 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.072 -1.085 . . . . 73.44 108.072 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 62' ' ' ILE . 35.8 t -108.13 109.72 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 123.267 0.627 . . . . 74.22 109.435 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 13' ' ' ILE . 23.4 tptp -96.93 109.36 22.11 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.375 -0.972 . . . . 64.15 108.375 170.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.488 HG22 HG12 ' A' ' 51' ' ' VAL . 9.2 t -169.28 157.03 7.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.66 0.784 . . . . 75.24 109.735 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -102.09 -5.57 24.34 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.683 0.793 . . . . 74.13 109.023 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.41 109.26 14.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.537 0.735 . . . . 74.03 109.971 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -59.54 -31.84 69.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.007 1.323 . . . . 75.41 112.564 -174.465 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.359 0.664 . . . . 65.22 111.191 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 m -63.11 -47.9 80.82 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.921 0.391 . . . . 74.41 110.041 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 75' ' ' ILE . 87.6 mt -58.26 -49.13 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 114.858 -1.064 . . . . 73.55 110.622 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 26.2 t -57.05 -56.01 27.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.105 0.962 . . . . 50.45 111.712 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 27.4 mm-40 -59.69 -49.83 76.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.446 0.698 . . . . 61.31 111.653 -174.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.1 -48.19 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 118.9 -0.572 . . . . 65.43 110.864 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 90.7 mt -55.44 -45.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 123.206 0.316 . . . . 74.35 110.646 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 60' ' ' SER . 92.8 mttt -55.88 -45.17 78.63 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.922 0.764 . . . . 74.44 110.93 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 38' ' ' ILE . 25.8 mm-40 -67.99 -32.84 73.53 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.105 -0.952 . . . . 74.21 111.99 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 73' ' ' VAL . 92.0 t -74.64 -35.66 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.28 0.632 . . . . 72.21 110.63 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.8 mt -59.91 -37.53 79.7 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.046 0.539 . . . . 72.24 109.642 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.18 -42.25 80.22 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.133 -0.94 . . . . 71.32 111.34 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 t -88.78 -13.16 40.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.059 0.544 . . . . 54.44 112.157 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 22.58 75.84 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 114.135 0.414 . . . . 64.02 114.135 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -81.5 164.42 21.99 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 71.41 111.585 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -79.03 124.42 28.26 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.446 -0.946 . . . . 74.32 108.446 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.635 ' HB ' HG11 ' A' ' 66' ' ' VAL . 4.7 p -121.84 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.989 0.423 . . . . 71.23 110.775 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.556 HD13 ' HG3' ' A' ' 94' ' ' GLU . 27.5 tp -118.96 120.87 38.55 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.53 -0.915 . . . . 64.44 108.53 173.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 95' ' ' THR . 50.4 mm -100.66 114.88 40.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.843 -0.799 . . . . 64.13 108.843 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 98.3 mt -108.87 120.05 41.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.252 -1.018 . . . . 64.2 108.252 175.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -139.23 141.68 37.87 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.961 -0.755 . . . . 72.33 108.961 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.0 m -66.67 -26.88 67.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.333 0.653 . . . . 71.51 111.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.15 119.42 34.6 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 121.723 0.773 . . . . 73.35 110.403 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.502 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 12.1 pt-20 -75.11 -14.21 60.55 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.161 -0.927 . . . . 54.31 111.429 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.17 -27.69 38.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.963 -0.384 . . . . 71.31 109.963 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HE2' ' A' ' 56' ' ' LYS . 78.3 mt -62.28 -54.61 31.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 N-CA-C 107.413 -1.328 . . . . 75.11 107.413 165.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 95' ' ' THR . 41.2 mm -50.67 -47.05 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 O-C-N 124.498 1.124 . . . . 63.44 111.595 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.89 -39.26 83.67 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.31 0.644 . . . . 74.55 112.029 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.9 p -71.11 -33.49 70.19 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.725 0.297 . . . . 62.41 111.286 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.587 HG22 HG11 ' A' ' 93' ' ' VAL . 41.8 mm -68.65 -33.34 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.314 0.646 . . . . 64.42 110.246 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -69.54 -41.36 76.04 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.637 0.775 . . . . 75.32 112.136 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -73.68 -36.8 65.34 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 117.866 0.303 . . . . 73.53 110.914 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.55 -48.28 41.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.926 0.49 . . . . 74.54 110.373 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . 48.2 m-85 -115.68 101.01 54.15 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.367 -0.975 . . . . 72.15 108.367 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -65.25 -32.77 50.88 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.365 2.043 . . . . 73.32 113.956 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -102.74 6.82 39.64 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.037 0.754 . . . . 73.23 113.037 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 HG22 ' A' ' 86' ' ' ILE . 10.6 p -76.76 145.33 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.955 -0.387 . . . . 71.51 109.955 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HG3' HD13 ' A' ' 74' ' ' LEU . 11.9 tp10 -92.86 132.95 36.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.62 -0.881 . . . . 63.43 108.62 172.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.4 p -144.23 152.83 41.38 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.403 0.681 . . . . 32.44 109.513 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -160.47 139.12 10.27 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 49.9 ttp180 -68.75 129.72 40.74 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.507 -0.923 . . . . 70.23 108.507 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -144.65 107.29 4.43 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.072 -1.085 . . . . 71.41 108.072 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -94.54 -54.26 3.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.686 . . . . 73.41 110.015 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.0 t70 -95.91 154.99 16.94 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.753 -0.658 . . . . 71.51 110.185 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.6 pttm -60.89 -29.79 69.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.016 1.326 . . . . 72.22 112.558 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.1 pt-20 -69.92 -42.04 73.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.354 0.409 . . . . 73.24 111.039 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.79 -33.32 75.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.028 0.531 . . . . 75.41 111.526 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 13' ' ' ILE . 99.2 t -72.41 -51.48 28.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 116.257 -0.429 . . . . 61.14 110.755 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.589 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 pttt -65.56 -31.67 72.84 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.355 0.409 . . . . 74.44 111.2 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.74 -46.49 87.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.714 0.806 . . . . 71.34 111.33 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.42 72.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.222 0.609 . . . . 73.35 111.768 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.567 HG11 HG13 ' A' ' 17' ' ' VAL . 71.0 t -69.19 -54.21 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.27 0.628 . . . . 72.14 109.934 174.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.69 -49.25 65.68 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.169 0.988 . . . . 74.31 111.472 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.91 -43.72 98.16 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.877 -1.056 . . . . 73.24 111.014 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.51 -37.86 87.69 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.814 0.846 . . . . 74.44 110.974 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 28' ' ' ILE . 72.9 mt -72.03 -42.86 65.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.989 0.916 . . . . 74.51 111.498 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -70.3 -36.79 74.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.817 0.447 . . . . 63.03 111.13 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 122.927 0.491 . . . . 71.33 111.562 175.507 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 tptt . . . . . 0 C--O 1.241 0.649 0 N-CA-C 109.749 -0.463 . . . . 74.01 109.749 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.59 121.73 45.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.297 -1.001 . . . . 62.14 108.297 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.8 137.23 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.232 0.613 . . . . 71.1 109.825 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.436 ' HB3' HG22 ' A' ' 30' ' ' THR . 68.3 t80 -111.55 111.45 22.46 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.235 -0.654 . . . . 72.2 109.235 170.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 HG13 ' A' ' 37' ' ' ILE . 51.8 tp -95.83 136.37 36.33 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.757 -0.831 . . . . 72.23 108.757 171.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 41.4 t -159.58 137.92 10.48 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.703 0.801 . . . . 72.41 109.528 172.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.37 -25.92 58.08 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.5 0.72 . . . . 71.24 111.205 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.05 130.42 46.2 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.185 0.594 . . . . 72.31 109.963 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.4 tp-100 -65.21 -41.14 94.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.361 1.064 . . . . 74.45 112.222 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.53 -32.2 73.4 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.686 0.394 . . . . 71.1 110.733 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' HG2' ' A' ' 52' ' ' LYS . 28.8 mm -64.07 -48.35 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 O-C-N 123.985 0.803 . . . . 64.14 109.45 173.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 11' ' ' GLN . 92.3 mt -56.07 -42.18 71.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-N 114.565 -1.198 . . . . 72.25 110.222 178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 48.5 mt-10 -70.37 -34.4 72.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.913 0.885 . . . . 74.43 111.786 -175.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.4 mm-40 -63.9 -47.8 79.16 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.499 0.499 . . . . 62.33 110.879 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 105' ' ' LYS . 97.4 t -71.01 -43.61 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.172 -0.922 . . . . 52.21 111.176 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -63.76 -44.01 94.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.435 1.094 . . . . 55.52 111.136 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 24.7 tptp -64.22 -48.01 77.5 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 123.769 0.668 . . . . 74.24 111.192 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -70.22 -32.76 70.78 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.6 0.563 . . . . 75.13 111.331 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -35.93 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.896 -0.593 . . . . 53.13 110.074 173.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.7 -44.38 86.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.515 0.726 . . . . 64.54 110.307 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 9.0 mm-40 -57.14 -42.98 82.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.406 0.682 . . . . 50.03 111.755 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -92.11 -10.82 37.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.94 -0.573 . . . . 73.44 112.453 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.37 21.39 73.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.937 -0.368 . . . . 52.41 113.659 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.27 111.89 4.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.755 0.822 . . . . 74.42 110.074 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 87.58 2.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.277 0.631 . . . . 71.41 109.503 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.31 123.42 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.203 -0.908 . . . . 73.03 109.645 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -82.5 119.88 24.78 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.407 -0.96 . . . . 75.43 108.407 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.1 p -100.37 142.45 31.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.189 0.595 . . . . 63.35 110.116 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 37' ' ' ILE . 35.9 t -147.84 153.12 38.74 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.758 0.823 . . . . 73.1 109.606 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 8' ' ' SER . 39.8 t-20 -104.88 -45.3 4.6 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.399 1.08 . . . . 63.31 108.904 171.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.63 111.4 7.75 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.638 0.775 . . . . 73.24 110.531 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 58' ' ' SER . 0.0 OUTLIER -69.4 -21.99 63.73 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.521 -0.763 . . . . 71.22 112.217 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -65.3 -38.81 91.37 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.079 0.399 . . . . 51.42 110.512 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.65 -47.84 84.46 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.235 1.014 . . . . 43.42 110.355 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.501 HG13 HD13 ' A' ' 7' ' ' LEU . 42.8 mm -59.39 -52.6 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 114.455 -1.248 . . . . 74.42 111.963 -175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 91.3 mt -60.14 -36.52 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 73.53 110.274 -177.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 17.9 t70 -62.62 -46.9 86.11 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.31 1.006 . . . . 60.4 110.873 175.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.3 -31.13 70.34 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.895 0.478 . . . . 74.3 110.989 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 94.9 mt -68.55 -34.27 75.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.366 0.666 . . . . 72.25 110.862 174.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 66.5 mttm -58.49 -40.06 81.75 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.318 0.647 . . . . 73.51 110.517 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 45.7 mtt180 -88.21 -7.72 56.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.959 -1.019 . . . . 73.42 111.48 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER 63.1 30.99 16.08 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.488 1.115 . . . . 75.53 109.664 -175.06 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -66.72 -30.25 70.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.582 0.753 . . . . 73.14 110.873 174.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' A' ' 41' ' ' LEU . 49.6 mt -102.28 127.6 55.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.776 0.83 . . . . 73.32 109.292 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.85 -33.69 12.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.63 0.772 . . . . 42.31 111.063 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 20.7 ptm -151.38 137.61 18.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.697 0.799 . . . . 75.4 108.962 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 12.9 tt -142.72 149.4 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.164 0.507 . . . . 74.34 110.687 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.634 HD13 ' HA ' ' A' ' 108' ' ' VAL . 70.6 mt -127.78 116.46 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.105 -1.072 . . . . 71.24 108.105 176.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 62' ' ' ILE . 57.4 t -107.55 111.98 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.197 0.999 . . . . 74.04 110.02 -175.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.7 tptp -103.76 107.07 17.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.73 -0.841 . . . . 71.53 108.73 171.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.7 t -171.35 162.63 6.81 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.909 0.883 . . . . 52.45 108.654 172.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -101.91 -4.67 25.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.578 0.751 . . . . 73.2 110.038 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -70.94 92.02 0.9 Allowed 'General case' 0 C--N 1.348 0.524 0 N-CA-C 109.214 -0.661 . . . . 60.12 109.214 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -55.67 -31.77 62.68 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.321 1.048 . . . . 63.0 112.419 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.9 mt-10 -60.95 -47.49 86.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.878 0.871 . . . . 72.31 111.434 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 78.1 p -69.61 -51.78 31.93 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.217 -0.29 . . . . 75.22 110.217 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 75' ' ' ILE . 86.5 mt -46.53 -55.37 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 124.635 1.209 . . . . 74.12 111.285 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -54.06 -51.89 62.64 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 124.766 1.291 . . . . 73.14 111.19 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 47.8 mm-40 -61.64 -41.78 97.98 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.918 0.761 . . . . 72.4 111.774 -176.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.48 -51.01 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 123.473 0.483 . . . . 72.45 109.996 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 59.7 mt -59.13 -45.23 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 123.737 0.648 . . . . 74.3 110.703 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -55.86 -44.09 77.72 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.972 0.909 . . . . 73.01 110.447 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 37.8 mm-40 -68.44 -35.16 77.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.752 -1.113 . . . . 72.41 111.251 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.493 HG21 ' HB ' ' A' ' 73' ' ' VAL . 57.1 t -71.3 -30.5 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.442 0.697 . . . . 73.53 110.673 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 85.4 mt -66.72 -40.21 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.102 0.561 . . . . 62.24 109.868 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.09 -41.76 73.65 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.49 0.716 . . . . 53.35 111.363 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB2' ' HG2' ' A' ' 44' ' ' ARG . 79.8 p -79.72 -25.02 41.25 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.191 0.597 . . . . 75.32 111.194 -173.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.15 43.88 69.44 Favored Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.245 -0.742 . . . . 72.11 111.245 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.45 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -100.29 -173.58 2.46 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.996 0.918 . . . . 62.32 110.604 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.3 mppt? -105.28 145.19 31.02 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.562 -0.903 . . . . 51.24 108.562 169.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 7.7 p -145.67 137.3 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 122.835 0.454 . . . . 74.41 111.191 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.34 133.2 56.25 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.124 -1.065 . . . . 75.11 108.124 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 59' ' ' ILE . 39.8 mm -111.57 117.76 55.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.057 -0.72 . . . . 74.33 109.057 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.8 mt -116.57 126.32 53.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.476 1.11 . . . . 64.4 108.434 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.41 ' H ' HD11 ' A' ' 83' ' ' ILE . 11.8 m -145.25 144.37 30.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.794 -1.187 . . . . 71.1 107.794 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -67.77 -42.75 81.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.749 0.42 . . . . 72.33 110.317 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.02 119.26 18.95 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.648 0.779 . . . . 54.24 111.188 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.81 69.49 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.2 1.0 . . . . 51.3 112.371 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -62.61 -41.93 99.28 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.285 0.634 . . . . 73.31 110.112 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' HG12 ' A' ' 86' ' ' ILE . 73.2 mt -72.36 -43.53 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.19 -0.914 . . . . 74.44 110.455 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.635 HG22 ' HE ' ' A' ' 87' ' ' ARG . 39.9 mm -60.5 -41.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.4 0.28 . . . . 64.22 110.981 176.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.6 -45.63 93.28 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.579 0.752 . . . . 75.05 110.45 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.628 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 54.3 m -58.91 -46.53 87.7 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 123.86 0.725 . . . . 74.54 111.657 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 82' ' ' ILE . 32.8 mm -67.74 -32.38 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 122.694 0.398 . . . . 74.33 110.81 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.635 ' HE ' HG22 ' A' ' 83' ' ' ILE . 51.5 mtm180 -69.9 -40.84 75.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.824 0.45 . . . . 75.21 112.05 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.1 pttt -81.86 -33.87 30.4 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 111.617 0.228 . . . . 65.01 111.617 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.84 -36.76 59.52 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.973 0.416 . . . . 65.2 110.222 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 93' ' ' VAL . 58.9 m-85 -133.04 95.3 18.95 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 124.007 0.923 . . . . 70.34 109.141 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.74 -26.72 11.2 Favored 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 121.987 1.791 . . . . 73.32 113.068 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.88 1.94 50.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.448 0.699 . . . . 73.22 112.784 -171.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 9.1 p -92.72 148.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.058 0.543 . . . . 74.05 109.941 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -78.58 134.57 37.21 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 108.958 -0.756 . . . . 73.31 108.958 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 75' ' ' ILE . 12.1 p -141.64 148.14 38.7 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.872 0.869 . . . . 75.51 109.657 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -158.87 141.29 14.07 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.976 0.91 . . . . 71.14 108.738 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -71.03 126.27 29.12 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.738 -0.838 . . . . 75.52 108.738 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.59 103.49 4.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.206 -1.035 . . . . 60.35 108.206 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -96.6 -42.33 8.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.872 0.869 . . . . 75.21 110.243 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -92.04 149.8 21.32 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.992 -0.744 . . . . 72.51 108.992 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.488 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -62.8 -25.68 68.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.97 0.908 . . . . 74.22 112.236 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.45 -44.18 83.49 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 109.148 -0.686 . . . . 70.02 109.148 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.33 -36.44 71.15 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 123.49 0.716 . . . . 72.22 111.031 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 108' ' ' VAL . 39.3 t -65.71 -58.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 124.23 0.956 . . . . 64.35 110.447 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.556 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.3 pttt -64.63 -32.36 73.99 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.791 0.682 . . . . 75.22 111.503 -174.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.24 -55.17 36.95 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 123.432 0.458 . . . . 73.34 110.841 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.69 71.0 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.879 0.737 . . . . 72.24 111.766 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.634 ' HA ' HD13 ' A' ' 50' ' ' ILE . 53.6 t -62.36 -55.98 20.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.783 0.833 . . . . 75.24 109.861 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 42.9 tt0 -64.2 -37.06 86.13 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.536 -0.757 . . . . 63.03 110.941 -176.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.04 -37.83 88.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.5 0.72 . . . . 73.01 110.474 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -63.72 -35.82 81.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.481 0.712 . . . . 64.53 109.937 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 68.1 mt -72.14 -40.71 67.87 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.068 -0.969 . . . . 72.11 110.957 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.562 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 99.3 mttt -61.21 -41.14 96.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.703 0.801 . . . . 75.24 112.441 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.479 0.995 0 C-N-CA 122.868 0.467 . . . . 64.23 112.088 -177.067 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 C--O 1.243 0.747 0 N-CA-C 109.066 -0.716 . . . . 74.13 109.066 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 28' ' ' ILE . 20.2 t -88.27 129.75 38.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 108.166 -1.05 . . . . 64.54 108.166 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.6 t -122.07 114.21 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 108.702 -0.851 . . . . 75.34 108.702 171.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' THR . 75.6 t80 -92.84 104.26 16.53 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.518 0.675 . . . . 64.33 109.412 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.3 tp -101.89 131.07 48.47 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.913 1.285 . . . . 73.21 108.72 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 62.0 m -151.58 155.48 38.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.0 0.52 . . . . 74.21 111.734 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.11 -41.48 17.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.419 1.088 . . . . 71.14 111.052 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.61 134.83 34.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.162 0.585 . . . . 73.03 110.405 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.24 -41.18 70.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.137 0.975 . . . . 72.44 112.516 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.73 -36.2 71.72 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.12 0.568 . . . . 74.42 110.268 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.641 HD12 HG21 ' A' ' 104' ' ' VAL . 48.6 mm -62.63 -53.13 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 114.902 -1.045 . . . . 52.54 110.473 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.82 -44.79 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.33 1.052 . . . . 74.03 110.885 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.11 -45.43 85.16 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.12 111.804 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 20.6 mm-40 -65.49 -42.4 92.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.716 0.806 . . . . 74.32 112.032 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.22 -37.79 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 115.874 -0.603 . . . . 71.3 111.141 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -64.87 -35.73 82.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.733 0.813 . . . . 65.53 110.852 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -66.57 -42.69 86.65 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.209 -0.905 . . . . 74.33 110.057 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -65.24 -38.53 90.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.115 -0.493 . . . . 74.41 111.269 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -62.25 -30.59 71.22 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 71.52 111.195 177.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.64 -54.68 8.39 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 65.1 111.183 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.06 -45.96 89.74 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.201 1.0 . . . . 73.2 112.069 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.81 -23.91 59.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.522 0.729 . . . . 75.13 110.992 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.43 32.01 52.74 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.349 -0.387 . . . . 53.43 113.135 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.05 140.41 47.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.296 0.638 . . . . 61.43 110.03 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -87.73 85.55 7.07 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.034 -0.728 . . . . 62.25 109.034 173.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 21' ' ' ALA . 24.5 mt -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 115.606 -0.725 . . . . 62.5 109.649 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 5' ' ' VAL . 59.2 tp60 -91.82 114.54 27.11 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 107.922 -1.14 . . . . 64.51 107.922 165.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 6' ' ' PHE . 43.8 p -97.06 146.15 25.29 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.294 -0.632 . . . . 50.14 109.294 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -160.15 162.1 33.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.158 0.583 . . . . 74.42 110.904 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' SER . 24.2 t-20 -112.42 -47.38 3.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.384 1.074 . . . . 72.3 109.631 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.15 98.66 1.37 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.605 -1.179 . . . . 64.11 111.019 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 7.7 ptpp? -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.835 -1.075 . . . . 73.23 113.484 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.35 -22.22 63.77 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.345 0.403 . . . . 72.45 111.074 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 8.2 tp10 -67.34 -43.65 81.03 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.695 0.798 . . . . 64.13 109.904 170.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -77.62 -35.02 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.104 . . . . 75.13 111.748 -175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 65' ' ' GLN . 71.2 mt -58.98 -34.65 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.567 1.147 . . . . 73.33 109.712 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 14.7 t70 -63.7 -36.81 85.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.711 0.805 . . . . 73.21 110.801 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 36' ' ' GLU . 64.6 mtt85 -81.59 -23.67 36.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.642 . . . . 71.11 111.575 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.69 -31.92 68.98 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.229 0.611 . . . . 75.55 110.107 168.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 55.1 mtpt -70.22 -29.1 65.84 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.047 0.939 . . . . 74.53 110.736 172.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 75.5 mtt180 -78.32 -15.77 58.4 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 71.41 111.048 174.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 24.12 13.66 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.297 1.039 . . . . 74.24 111.041 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -99.34 10.68 40.95 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.52 0.728 . . . . 71.44 112.433 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.97 129.54 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 108.402 -0.962 . . . . 65.42 108.402 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -84.0 -47.39 11.03 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.603 0.716 . . . . 71.14 110.098 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 ptm -145.49 137.41 25.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.042 -0.981 . . . . 65.14 109.384 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 tt -131.02 145.74 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.921 0.888 . . . . 74.12 109.213 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 108' ' ' VAL . 61.6 mt -123.83 132.06 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.683 1.193 . . . . 71.33 107.939 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.23 109.93 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.969 -0.752 . . . . 74.23 108.969 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 25.3 tptp -108.02 107.48 18.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.577 0.703 . . . . 74.2 109.148 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -150.99 -161.37 1.32 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.075 -1.454 . . . . 72.42 107.075 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -146.09 33.04 1.0 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -132.63 113.09 12.61 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.504 0.722 . . . . 64.34 109.898 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -58.64 -31.06 67.77 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.412 1.085 . . . . 75.23 112.498 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.97 -48.03 59.91 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.635 0.774 . . . . 74.55 110.719 -173.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.676 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . 46.0 p -66.72 -40.33 88.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.717 0.807 . . . . 60.32 111.073 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 75' ' ' ILE . 92.2 mt -54.63 -48.25 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 O-C-N 124.283 0.989 . . . . 74.33 110.202 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.4 t -59.74 -35.55 74.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.773 1.229 . . . . 72.24 111.962 -174.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.39 -48.83 73.97 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.222 0.609 . . . . 72.43 111.199 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.8 mp -61.2 -44.94 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 115.509 -0.769 . . . . 74.53 109.79 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 60.4 mt -58.74 -40.92 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 123.658 0.599 . . . . 64.12 110.96 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' SER . 64.2 mttp -56.2 -47.27 78.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.34 110.061 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HG3' HG23 ' A' ' 38' ' ' ILE . 33.6 mm-40 -65.24 -33.25 75.54 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 115.193 -0.912 . . . . 71.42 111.686 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.624 HG11 ' HB ' ' A' ' 73' ' ' VAL . 95.7 t -79.45 -22.95 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.3 0.64 . . . . 64.11 110.904 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.8 mt -70.73 -34.09 71.52 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.246 -0.65 . . . . 73.35 109.246 173.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -73.0 -38.95 66.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.901 0.88 . . . . 73.22 111.777 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 70.8 p -85.72 -32.73 21.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.829 0.452 . . . . 61.23 111.805 -175.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.81 26.01 65.84 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.883 -0.599 . . . . 43.24 113.037 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.8 172.02 14.34 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.748 0.819 . . . . 55.34 111.534 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -83.59 120.67 26.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.95 -1.129 . . . . 65.32 107.95 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' HG11 ' A' ' 66' ' ' VAL . 6.1 p -118.02 132.77 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.875 0.47 . . . . 74.44 110.251 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.41 129.41 56.55 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.264 -1.013 . . . . 64.04 108.264 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.592 HD12 HG23 ' A' ' 59' ' ' ILE . 36.6 mm -115.45 108.55 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.583 -0.895 . . . . 64.44 108.583 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.5 mt -104.05 124.08 48.4 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.221 1.008 . . . . 64.11 108.635 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.3 m -139.13 148.18 42.9 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.679 -0.86 . . . . 75.04 108.679 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -83.4 10.53 8.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.104 0.562 . . . . 72.53 112.269 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.49 130.04 36.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.253 0.621 . . . . 72.13 110.394 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.35 -35.15 78.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.711 1.204 . . . . 73.53 113.04 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -76.99 -32.95 57.59 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.884 0.474 . . . . 54.54 110.416 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 56' ' ' LYS . 52.7 mt -66.88 -47.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.621 0.768 . . . . 64.43 109.81 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 30.3 mm -56.24 -44.17 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.404 0.681 . . . . 73.34 110.038 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.1 -41.23 99.33 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.994 0.917 . . . . 61.23 111.366 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.467 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.8 m -60.26 -44.39 95.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.22 0.608 . . . . 71.3 111.028 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 HG11 ' A' ' 93' ' ' VAL . 47.7 mm -69.39 -31.23 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.635 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 21.3 mtm180 -69.58 -42.43 74.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.127 0.571 . . . . 74.54 112.266 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 62.0 pttt -80.93 -36.7 30.66 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.865 0.32 . . . . 75.24 111.865 -174.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.19 -40.46 71.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.87 0.468 . . . . 72.42 110.677 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 93' ' ' VAL . 12.3 m-85 -122.18 101.84 40.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 108.308 -0.997 . . . . 71.24 108.308 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.14 -32.81 26.6 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.321 2.014 . . . . 75.35 113.563 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -102.41 15.18 29.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.007 0.743 . . . . 73.21 113.007 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.55 HG11 HG22 ' A' ' 86' ' ' ILE . 14.7 p -85.37 146.73 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.577 -0.527 . . . . 72.41 109.577 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -91.26 114.17 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.741 -1.207 . . . . 64.13 107.741 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.2 p -118.37 152.95 34.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.223 0.609 . . . . 73.43 109.828 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -160.04 134.51 7.58 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.185 -1.043 . . . . 73.44 108.185 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.09 138.83 54.64 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.188 -0.671 . . . . 71.21 109.188 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.525 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.88 116.71 6.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.114 -1.439 . . . . 71.12 107.114 173.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -96.27 -57.28 2.37 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.124 0.488 . . . . 74.24 109.847 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 t70 -91.93 159.72 15.62 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.519 -0.764 . . . . 54.14 110.509 -176.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.83 -32.83 73.19 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.159 1.384 . . . . 70.3 112.578 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.1 pt-20 -67.81 -41.01 83.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.636 0.775 . . . . 73.02 110.435 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.1 -40.39 93.56 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.702 0.801 . . . . 65.12 110.842 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.641 HG21 HD12 ' A' ' 13' ' ' ILE . 57.9 t -67.07 -51.64 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.881 0.738 . . . . 72.5 111.176 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 59.1 pttt -68.52 -32.16 71.91 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.172 0.434 . . . . 74.21 112.172 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -65.57 -38.21 88.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.402 0.281 . . . . 73.21 111.218 170.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.58 95.0 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.338 0.655 . . . . 40.41 110.749 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 57.2 t -62.63 -48.86 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.124 0.97 . . . . 62.51 110.034 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 31.1 tt0 -55.72 -46.42 77.73 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.921 -1.036 . . . . 55.54 111.034 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.11 -35.53 69.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.508 0.723 . . . . 75.41 111.934 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.12 -34.41 74.94 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.538 0.735 . . . . 62.14 109.941 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 34.3 mt -83.77 -45.14 13.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.683 -0.689 . . . . 75.32 112.235 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 63.0 mttm -64.46 -32.92 74.75 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 120.672 0.273 . . . . 74.34 111.67 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 123.152 0.581 . . . . 72.34 111.121 179.199 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 53.4 tptt . . . . . 0 C--O 1.241 0.611 0 N-CA-C 110.416 -0.216 . . . . 75.21 110.416 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.41 118.52 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.927 -1.138 . . . . 54.25 107.927 170.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 37' ' ' ILE . 77.5 t -119.74 134.44 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.551 0.741 . . . . 74.42 109.5 175.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.5 t80 -107.86 117.29 33.73 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.007 -0.738 . . . . 71.21 109.007 165.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 58.9 tp -102.78 138.07 40.15 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.78 -0.822 . . . . 73.52 108.78 172.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.432 ' HB3' HG12 ' A' ' 14' ' ' ILE . 40.1 t -156.31 161.6 40.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.488 0.715 . . . . 70.43 109.575 172.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HA ' ' OD1' ' A' ' 32' ' ' ASN . 34.6 t70 -99.85 -29.71 12.45 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.489 0.661 . . . . 73.52 110.148 174.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.44 116.08 21.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.681 -1.145 . . . . 73.44 109.003 -171.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -54.39 -49.37 70.05 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.819 0.847 . . . . 74.52 112.942 -172.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.86 -54.62 42.38 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.916 0.76 . . . . 65.01 110.237 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 HG11 ' A' ' 104' ' ' VAL . 29.9 mm -46.55 -49.08 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 124.723 1.264 . . . . 60.12 113.294 176.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 8' ' ' SER . 68.0 mt -57.21 -47.16 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.161 0.584 . . . . 74.14 110.205 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.13 -27.27 62.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.999 0.92 . . . . 73.11 112.199 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.612 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 10.7 mm-40 -74.6 -44.01 52.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.451 0.7 . . . . 75.3 110.928 -178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.444 HG13 HG11 ' A' ' 108' ' ' VAL . 97.0 t -75.32 -33.16 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.382 -0.826 . . . . 71.03 110.47 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -68.38 -42.59 78.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.126 0.57 . . . . 74.3 110.717 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -60.3 -46.87 88.34 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.411 -0.589 . . . . 73.23 109.411 175.722 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 28.5 ttmt -67.37 -29.04 68.46 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.661 -0.699 . . . . 71.32 111.718 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.89 99.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.481 0.313 . . . . 74.11 110.251 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.54 -50.02 60.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.013 0.525 . . . . 74.42 111.253 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.52 -48.25 77.63 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.466 1.106 . . . . 75.11 112.035 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -81.33 -20.07 41.48 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.303 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.32 6.29 68.83 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-O 119.633 -0.537 . . . . 64.34 113.189 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.69 129.15 38.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.557 0.743 . . . . 74.45 110.226 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -79.12 89.39 4.83 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.492 -0.929 . . . . 72.51 108.492 168.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.2 116.89 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.142 -0.688 . . . . 73.45 109.142 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.45 107.46 8.73 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.738 -0.838 . . . . 62.24 108.738 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 6' ' ' PHE . 10.8 p -97.39 126.66 42.77 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.277 0.631 . . . . 63.12 109.54 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -148.35 159.34 44.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.173 0.589 . . . . 64.44 111.124 -167.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 9' ' ' ASP . 42.7 t30 -114.52 -9.19 12.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.388 1.075 . . . . 65.14 109.073 170.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 37' ' ' ILE . 11.0 m-20 -77.28 77.54 3.81 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.721 0.808 . . . . 74.03 110.027 -176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -59.87 -36.34 76.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.71 0.804 . . . . 64.4 109.915 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.93 -44.24 90.13 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.029 0.932 . . . . 72.32 110.965 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 25.4 tt0 -63.52 -45.05 92.42 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.629 0.581 . . . . 60.23 109.762 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.512 HD12 HG11 ' A' ' 5' ' ' VAL . 36.1 mm -64.25 -41.66 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.749 -0.66 . . . . 60.11 111.187 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.6 mt -58.21 -40.59 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.717 0.807 . . . . 74.53 110.339 174.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.85 -40.46 91.73 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.439 1.096 . . . . 72.24 111.193 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 23.9 mtp180 -73.13 -28.49 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.243 0.617 . . . . 73.33 110.685 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 46' ' ' ILE . 76.4 mt -73.36 -29.4 62.62 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.756 0.822 . . . . 74.12 110.738 173.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 97.1 mttt -66.55 -29.79 69.95 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.139 0.576 . . . . 75.1 110.592 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -81.56 -16.85 50.4 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.36 -0.836 . . . . 74.4 110.665 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 66.34 20.78 11.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.779 1.231 . . . . 72.22 111.319 -174.528 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -81.36 1.01 34.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.012 0.925 . . . . 72.24 112.479 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 66.3 mt -111.4 123.35 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 71.03 109.151 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.07 -36.36 23.1 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.817 0.847 . . . . 73.2 111.46 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.612 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 17.9 ptm -153.79 144.76 22.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.601 -0.727 . . . . 71.41 110.084 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.6 tt -142.88 145.13 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.495 0.718 . . . . 74.12 110.593 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.531 HD12 HG13 ' A' ' 108' ' ' VAL . 62.1 mt -128.31 122.54 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 108.088 -1.079 . . . . 63.14 108.088 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 62' ' ' ILE . 62.1 t -115.37 122.1 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.964 0.906 . . . . 61.32 110.347 -175.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.7 111.69 20.95 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.649 0.78 . . . . 73.44 110.036 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.417 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.8 t -170.48 166.13 8.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.293 1.037 . . . . 61.02 108.936 172.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -104.27 1.3 30.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.07 0.548 . . . . 72.35 110.142 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.24 88.84 1.52 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.748 -1.205 . . . . 75.54 107.748 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.9 mtpt -56.35 -34.12 66.32 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.485 1.114 . . . . 73.22 112.874 -176.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 44.5 mt-10 -63.09 -50.14 71.72 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.955 0.784 . . . . 63.14 110.614 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.4 p -66.51 -47.24 73.6 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.438 0.461 . . . . 74.14 110.798 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.522 HG23 HD12 ' A' ' 75' ' ' ILE . 86.4 mt -49.32 -51.36 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.131 0.894 . . . . 74.31 110.014 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -56.0 -47.96 76.78 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.445 -1.252 . . . . 75.03 111.902 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 13.8 mm-40 -61.84 -49.3 76.83 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.59 0.556 . . . . 72.22 110.963 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.496 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -54.01 -48.11 64.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 O-C-N 123.919 0.762 . . . . 65.11 110.752 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.8 mt -61.22 -42.1 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 122.672 0.389 . . . . 73.24 110.92 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.15 -41.61 79.48 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.245 0.618 . . . . 74.51 110.285 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 20.4 mm-40 -65.97 -40.04 90.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.265 -0.88 . . . . 72.34 110.602 176.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' A' ' 71' ' ' ALA . 98.5 t -73.65 -26.51 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.789 0.836 . . . . 64.13 111.832 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 93.3 mt -65.83 -42.11 90.97 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.583 -0.895 . . . . 64.14 108.583 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.03 -32.46 67.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.518 -1.219 . . . . 52.22 110.865 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.647 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 9.5 t -82.36 -35.28 27.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.563 0.745 . . . . 42.42 111.735 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.71 27.48 58.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 116.062 -0.517 . . . . 44.55 113.508 -174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -87.53 162.41 17.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.538 0.735 . . . . 34.31 111.445 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.9 mppt? -83.79 111.17 18.95 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.151 -0.685 . . . . 75.1 109.151 173.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HG23 ' A' ' 93' ' ' VAL . 5.4 p -112.26 129.35 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.164 0.586 . . . . 74.13 111.137 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.507 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.0 tp -115.81 123.29 47.82 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.497 -0.927 . . . . 73.21 108.497 171.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' A' ' 95' ' ' THR . 42.1 mm -102.69 126.73 56.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 123.461 0.704 . . . . 73.24 109.31 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -123.56 132.96 54.03 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 124.82 1.248 . . . . 73.21 108.181 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -151.29 148.14 27.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 51.4 108.096 175.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -68.1 -16.24 63.93 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.069 0.548 . . . . 74.5 111.224 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -112.42 128.74 56.4 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.097 0.559 . . . . 65.42 111.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 12.5 pt-20 -80.84 -11.94 59.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.962 0.905 . . . . 64.11 112.851 -175.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -84.16 -31.39 25.18 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.102 -0.703 . . . . 60.32 109.102 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 56' ' ' LYS . 71.8 mt -65.57 -47.75 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.804 -0.813 . . . . 72.42 108.804 167.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.524 HG23 ' HB ' ' A' ' 95' ' ' THR . 24.8 mm -56.2 -39.98 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.416 -0.811 . . . . 65.2 111.395 174.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.67 -41.05 84.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.293 0.637 . . . . 75.12 111.169 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.8 m -58.56 -40.14 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.428 0.632 . . . . 55.33 110.664 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 93' ' ' VAL . 33.2 mm -70.94 -36.08 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 114.74 -1.118 . . . . 51.13 110.946 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.01 -44.2 89.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.174 0.589 . . . . 74.51 111.859 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.89 -34.49 29.96 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.707 0.403 . . . . 70.14 111.769 -170.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.2 -33.59 59.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.707 0.403 . . . . 74.41 111.002 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.59 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.7 m-85 -129.55 91.93 39.48 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.42 -0.956 . . . . 74.45 108.42 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.19 -25.66 36.9 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.216 1.944 . . . . 73.43 114.478 -175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -97.95 13.61 30.17 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.948 0.721 . . . . 75.24 112.948 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 73' ' ' VAL . 13.0 p -90.79 142.36 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 109.874 -0.417 . . . . 75.3 109.874 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -83.24 127.53 33.71 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.273 -1.01 . . . . 74.1 108.273 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 75' ' ' ILE . 68.3 p -132.49 156.95 45.85 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.105 0.562 . . . . 73.21 110.686 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -160.2 132.35 6.23 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.33 -0.989 . . . . 63.24 108.33 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.55 120.17 22.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.607 -0.886 . . . . 74.23 108.607 170.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.63 106.75 5.73 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.671 -1.233 . . . . 71.2 107.671 -172.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -93.72 -46.68 7.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.576 0.75 . . . . 71.42 110.177 -170.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 145.35 32.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.851 -1.068 . . . . 73.43 109.869 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 53.8 pttt -64.77 -28.92 69.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.885 0.874 . . . . 71.22 111.688 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -66.28 -41.76 89.39 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.634 -0.712 . . . . 72.13 110.235 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.88 -32.3 72.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.841 0.856 . . . . 73.53 112.321 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.462 HG11 HG23 ' A' ' 13' ' ' ILE . 80.6 t -72.44 -53.79 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.835 0.454 . . . . 61.32 110.752 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.612 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.5 pttt -66.21 -29.31 69.54 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.028 0.205 . . . . 74.12 110.863 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.17 -47.62 85.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.929 0.891 . . . . 74.31 111.182 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.61 81.04 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.347 0.659 . . . . 52.2 111.297 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HD12 ' A' ' 50' ' ' ILE . 82.6 t -65.15 -59.2 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.466 -0.788 . . . . 52.01 109.676 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.539 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 26.3 tt0 -47.82 -48.94 30.4 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.498 1.519 . . . . 73.41 111.629 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.58 -50.45 71.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 113.792 -1.549 . . . . 73.41 111.212 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -57.03 -32.7 66.44 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.326 1.05 . . . . 54.4 111.348 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 40.4 mt -78.38 -39.27 39.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.22 -0.9 . . . . 73.43 111.529 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 65.4 mttm -71.71 -28.48 63.72 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.767 0.427 . . . . 64.44 111.034 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.131 0.973 . . . . 75.01 111.204 178.325 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 120.531 0.205 . . . . 73.54 111.39 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -92.59 134.02 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.148 -1.056 . . . . 70.04 108.148 164.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 29' ' ' GLN . 58.4 t -126.78 126.91 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.266 0.626 . . . . 74.22 109.437 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 30' ' ' THR . 66.0 t80 -102.17 113.89 27.55 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.879 0.472 . . . . 74.24 110.473 174.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -95.97 147.27 23.86 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.116 -1.068 . . . . 74.23 108.116 166.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 43.6 t -154.35 171.66 18.93 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.011 0.524 . . . . 63.33 110.177 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.87 -35.25 6.7 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.814 1.246 . . . . 63.43 110.211 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.53 ' HB2' HG12 ' A' ' 13' ' ' ILE . 1.1 m-20 -94.71 130.79 41.07 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 73.41 109.517 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.19 -39.9 93.5 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.895 0.878 . . . . 72.14 111.79 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -50.5 -52.9 34.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.16 0.984 . . . . 64.52 110.952 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 104' ' ' VAL . 32.5 mm -53.7 -50.95 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 114.298 -1.319 . . . . 64.31 111.944 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 30' ' ' THR . 78.8 mt -54.52 -45.93 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.951 0.9 . . . . 71.05 110.575 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.5 -31.21 68.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.057 -0.974 . . . . 60.22 111.98 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 72.2 mm-40 -74.29 -38.66 63.32 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.823 0.449 . . . . 72.11 111.982 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG13 HG11 ' A' ' 108' ' ' VAL . 78.9 t -71.19 -36.49 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 122.841 0.456 . . . . 73.43 110.252 177.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -69.6 -35.94 75.75 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.462 0.705 . . . . 70.11 111.116 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -59.87 -51.99 67.35 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.434 1.094 . . . . 62.15 110.633 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 26.0 ttmt -69.96 -33.05 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.699 -0.682 . . . . 62.43 111.09 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -61.9 -37.21 83.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.747 0.419 . . . . 74.42 111.135 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.83 -54.67 17.22 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.981 0.912 . . . . 73.14 110.357 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.86 -37.12 86.21 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.102 0.961 . . . . 74.03 112.357 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -91.36 -9.27 45.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.662 0.785 . . . . 71.55 112.165 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.56 69.63 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.138 0.274 . . . . 52.4 113.498 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.8 m-85 -77.68 135.44 38.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.37 0.668 . . . . 74.3 111.252 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 101.99 7.88 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.465 -0.939 . . . . 64.13 108.465 166.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 21' ' ' ALA . 34.4 mt -135.38 137.28 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 108.831 -0.803 . . . . 64.25 108.831 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.537 ' HG2' HH22 ' A' ' 40' ' ' ARG . 6.7 tp-100 -107.19 114.36 28.35 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.35 -0.982 . . . . 74.33 108.35 171.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 6' ' ' PHE . 26.2 p -96.5 147.23 24.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.815 0.446 . . . . 74.13 110.752 -174.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 37' ' ' ILE . 38.4 t -159.48 166.34 31.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.673 0.789 . . . . 63.21 111.165 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -124.87 -5.67 7.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.05 1.34 . . . . 61.21 110.741 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -104.51 111.45 24.13 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.882 -0.512 . . . . 61.23 110.228 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -57.86 -40.81 81.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.1 0.96 . . . . 61.51 112.163 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -80.26 -23.74 40.59 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.871 0.468 . . . . 74.2 110.708 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.7 tp10 -57.29 -55.73 31.0 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.38 -0.971 . . . . 61.42 108.38 167.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 31' ' ' SER . 40.9 mm -63.8 -45.76 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 113.654 -1.612 . . . . 73.11 112.05 -174.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 ' HG3' ' A' ' 65' ' ' GLN . 87.5 mt -57.15 -41.5 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.118 0.967 . . . . 64.3 110.669 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 12.6 t70 -68.74 -33.74 74.44 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 123.708 0.63 . . . . 74.3 110.859 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.537 HH22 ' HG2' ' A' ' 29' ' ' GLN . 19.9 mtp180 -76.88 -29.39 55.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.683 0.793 . . . . 73.53 111.056 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.549 HD23 ' HB ' ' A' ' 46' ' ' ILE . 81.5 mt -64.18 -40.1 95.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.595 0.758 . . . . 44.11 109.352 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.24 -33.68 76.56 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.876 0.87 . . . . 71.12 111.645 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 93.5 mtt180 -71.13 -11.62 61.04 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.536 0.734 . . . . 71.45 111.114 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 67.35 20.98 9.89 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.283 1.433 . . . . 70.53 110.493 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -23.9 40.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.131 0.972 . . . . 55.24 112.347 -174.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.549 ' HB ' HD23 ' A' ' 41' ' ' LEU . 32.0 mt -100.33 117.16 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.828 -0.434 . . . . 75.01 109.828 -174.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.47 -35.21 17.15 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.2 1.0 . . . . 73.35 111.211 -176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -151.33 144.04 24.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.384 -0.825 . . . . 61.54 109.054 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -142.47 148.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.464 0.706 . . . . 72.14 110.245 -170.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -132.63 120.92 43.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 107.93 -1.137 . . . . 73.01 107.93 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 62' ' ' ILE . 58.8 t -117.65 120.01 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.707 0.803 . . . . 63.11 110.624 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.604 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.9 tptp -106.72 105.11 14.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.603 0.761 . . . . 71.33 109.736 174.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 51' ' ' VAL . 8.8 t -168.68 162.15 11.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.334 0.653 . . . . 64.45 110.444 175.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -103.12 -4.77 24.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.691 0.797 . . . . 61.21 111.004 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.4 96.72 4.73 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 109.053 -0.721 . . . . 73.41 109.053 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.469 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.7 mtpt -60.61 -28.36 68.45 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.884 -1.053 . . . . 70.05 112.759 -175.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -65.74 -42.64 90.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.887 0.475 . . . . 63.33 110.481 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -63.9 -52.28 60.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.171 0.588 . . . . 74.31 109.709 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 75' ' ' ILE . 75.4 mt -53.45 -47.96 58.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 124.799 1.312 . . . . 74.14 110.886 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.0 -54.65 40.31 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.39 1.056 . . . . 72.33 111.073 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.6 -39.77 95.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.681 0.613 . . . . 71.22 112.447 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.562 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -58.8 -55.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 109.555 -0.535 . . . . 64.12 109.555 175.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 HG13 ' A' ' 75' ' ' ILE . 81.4 mt -60.69 -37.37 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 123.901 0.751 . . . . 55.23 110.943 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -57.0 -47.0 81.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.794 0.684 . . . . 64.45 110.234 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 38' ' ' ILE . 39.5 mm-40 -75.41 -17.72 60.11 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.786 0.679 . . . . 64.21 112.264 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.591 HG11 ' HB ' ' A' ' 73' ' ' VAL . 93.2 t -77.37 -34.85 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.308 0.643 . . . . 75.35 109.965 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 84.8 mt -70.29 -35.58 73.8 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.447 -0.946 . . . . 74.5 108.447 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 11.0 t70 -61.93 -39.76 93.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.769 1.227 . . . . 74.51 110.877 170.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.5 m -76.92 -28.14 55.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.99 0.367 . . . . 50.15 111.99 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.55 42.11 93.75 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 111.108 -0.797 . . . . 75.25 111.108 -167.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.588 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -105.78 173.57 6.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.632 1.173 . . . . 50.13 110.765 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 140.6 29.52 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.876 -0.787 . . . . 74.05 108.876 174.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.68 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -138.05 133.76 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.511 0.672 . . . . 70.23 111.165 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' A' ' 50' ' ' ILE . 26.7 tp -117.46 124.14 48.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.943 1.297 . . . . 74.13 108.021 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.571 HG13 HD11 ' A' ' 63' ' ' ILE . 48.3 mm -108.02 117.29 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.226 -0.657 . . . . 73.2 109.226 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 82.8 mt -108.02 134.29 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.233 -1.025 . . . . 74.12 108.233 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.8 t -155.6 142.1 18.67 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.762 -0.829 . . . . 71.33 108.762 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.5 m -59.19 -36.87 76.12 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.082 0.864 . . . . 65.53 111.216 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 20.5 t70 -90.68 122.54 33.54 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.476 0.71 . . . . 72.13 110.744 -174.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.43 -24.67 61.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.307 1.043 . . . . 53.55 112.255 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -71.94 -35.5 69.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.782 -0.822 . . . . 75.35 108.782 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' HG12 ' A' ' 86' ' ' ILE . 89.5 mt -67.83 -51.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 O-C-N 124.357 1.036 . . . . 72.53 109.523 173.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 mm -51.12 -48.11 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 72.41 112.212 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.35 -27.69 52.78 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.498 -0.773 . . . . 74.33 111.639 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 t -65.74 -40.38 92.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.187 0.517 . . . . 70.35 109.631 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.5 mm -70.5 -32.75 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.988 -1.005 . . . . 65.14 110.647 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -69.96 -44.25 69.88 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.151 0.426 . . . . 71.43 112.151 174.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.36 -32.14 68.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 117.812 0.278 . . . . 63.42 111.214 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.84 -43.45 54.5 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.075 0.55 . . . . 73.24 110.899 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 93' ' ' VAL . 52.3 m-85 -123.3 96.76 43.74 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.469 0.708 . . . . 72.1 109.15 -174.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -60.84 -34.08 91.87 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.501 2.134 . . . . 71.32 113.539 177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.86 -12.86 60.04 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.318 1.229 . . . . 50.34 114.318 -171.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.68 HG23 HG13 ' A' ' 73' ' ' VAL . 10.8 p -83.46 139.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.572 0.624 . . . . 72.14 110.75 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 4.2 mm-40 -88.83 124.36 34.1 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.867 -1.16 . . . . 75.13 107.867 164.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' HB ' ' A' ' 75' ' ' ILE . 33.5 p -123.01 162.33 22.56 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.096 -0.705 . . . . 75.1 109.096 177.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -159.74 128.77 5.15 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.675 0.274 . . . . 75.12 110.432 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -61.91 116.86 5.22 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.283 0.989 . . . . 72.34 108.639 170.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.32 102.5 4.82 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.529 -1.285 . . . . 51.33 107.529 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.26 -3.42 50.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.193 -0.912 . . . . 53.33 110.814 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.82 153.87 49.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.548 -0.538 . . . . 65.33 109.548 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -68.3 -26.06 65.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.706 1.202 . . . . 73.24 112.289 -176.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 41.5 mt-10 -67.29 -49.78 62.88 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.063 0.852 . . . . 73.41 109.497 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.2 -33.83 71.44 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.592 -1.185 . . . . 73.22 112.151 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 13' ' ' ILE . 80.6 t -69.68 -57.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 122.909 0.484 . . . . 71.12 111.229 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.1 pttt -61.93 -34.65 76.46 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.481 0.488 . . . . 73.21 110.991 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -63.57 -46.39 86.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.4 0.68 . . . . 61.52 110.817 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.2 76.99 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.136 0.574 . . . . 73.33 111.004 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 54.9 t -62.22 -52.84 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.155 0.982 . . . . 61.42 109.511 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 86.2 tt0 -56.7 -53.87 52.77 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.969 0.908 . . . . 73.13 111.79 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -35.65 75.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.834 0.854 . . . . 63.12 112.223 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.07 -36.63 75.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.106 0.563 . . . . 72.43 110.394 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 63.3 mt -77.67 -31.59 52.66 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.612 0.765 . . . . 75.43 112.325 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.4 mttm -68.42 -38.64 81.41 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.006 0.431 . . . . 63.01 110.495 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 115.616 -0.72 . . . . 74.51 111.528 177.436 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 tptt . . . . . 0 C--O 1.24 0.558 0 CA-C-O 120.87 0.367 . . . . 75.32 111.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.35 123.52 39.7 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 N-CA-C 107.327 -1.36 . . . . 42.21 107.327 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 29' ' ' GLN . 71.5 t -126.28 124.69 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.362 0.665 . . . . 44.13 109.653 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -99.03 111.32 23.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.172 -0.677 . . . . 72.04 109.172 170.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.507 HD13 HG13 ' A' ' 37' ' ' ILE . 61.9 tp -97.28 139.04 33.84 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.499 -0.926 . . . . 63.42 108.499 171.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -162.71 161.65 26.46 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.513 0.725 . . . . 75.23 109.848 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -99.54 -31.89 11.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.514 0.726 . . . . 53.43 109.577 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.42 113.74 17.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.3 -1.318 . . . . 75.11 109.326 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.86 -52.26 65.8 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.858 0.863 . . . . 73.13 113.01 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.14 -21.28 64.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.768 0.427 . . . . 61.21 111.552 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.606 HG21 ' HG2' ' A' ' 52' ' ' LYS . 24.3 mm -68.02 -51.47 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.555 0.742 . . . . 43.24 109.049 171.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.74 -38.72 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.981 0.913 . . . . 74.12 111.359 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.55 -40.25 92.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.672 0.789 . . . . 73.41 111.412 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 8.6 mm-40 -74.49 -32.5 62.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.659 0.784 . . . . 71.02 112.124 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.48 -35.43 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.002 0.521 . . . . 63.24 110.604 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 t -66.86 -35.59 80.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.598 0.759 . . . . 61.11 109.855 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.6 tppt? -67.96 -47.64 68.08 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.494 -0.775 . . . . 71.24 110.001 174.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.7 -43.16 89.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.613 0.765 . . . . 72.53 111.221 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -60.08 -46.14 90.56 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.108 -0.951 . . . . 64.12 110.587 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.93 -45.49 92.24 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.737 0.815 . . . . 74.01 111.415 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 mm-40 -60.68 -43.04 98.19 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 64.15 112.187 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 56.4 mm-40 -82.86 -20.27 35.87 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.13 0.419 . . . . 64.43 112.13 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.31 37.6 20.63 Favored Glycine 0 CA--C 1.534 1.243 0 O-C-N 123.185 0.303 . . . . 73.44 113.249 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.88 138.34 31.5 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.05 0.94 . . . . 73.0 110.692 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -86.01 86.78 7.35 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.076 -0.712 . . . . 75.32 109.076 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 21' ' ' ALA . 40.1 mt -109.85 125.09 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.154 -0.684 . . . . 54.54 109.154 176.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB3' HG22 ' A' ' 5' ' ' VAL . 26.5 tp60 -87.44 109.42 19.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.437 -0.949 . . . . 70.14 108.437 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -95.75 125.42 40.31 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.365 -0.606 . . . . 52.22 109.365 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -142.05 154.4 44.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.932 0.893 . . . . 75.14 110.287 -171.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -110.54 -38.23 5.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.114 0.966 . . . . 74.11 110.321 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.23 102.92 8.82 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.937 0.399 . . . . 73.32 110.246 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -69.09 -25.97 64.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.682 0.793 . . . . 74.0 111.762 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.19 -39.72 93.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.59 0.756 . . . . 61.42 110.884 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 36.5 tt0 -59.86 -48.66 80.78 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.171 -0.922 . . . . 73.02 109.8 172.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD13 ' A' ' 7' ' ' LEU . 46.0 mm -64.56 -38.32 82.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.44 -1.255 . . . . 75.54 112.145 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HG3' ' A' ' 65' ' ' GLN . 93.5 mt -59.01 -42.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.175 0.99 . . . . 75.45 110.002 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 27.7 t70 -70.07 -32.85 71.15 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.886 -1.052 . . . . 62.24 110.889 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.3 mtp180 -73.68 -31.5 63.47 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.636 0.374 . . . . 50.01 110.673 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -67.72 -32.6 73.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.064 0.546 . . . . 72.14 109.939 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.76 -36.61 84.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.89 0.476 . . . . 75.05 111.022 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 83.5 mtt180 -71.6 -12.56 61.42 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.415 0.686 . . . . 71.31 111.056 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 65.07 19.56 11.84 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.78 1.232 . . . . 71.52 109.224 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -68.18 -30.62 69.76 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.051 1.74 . . . . 71.03 111.548 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' HB ' ' A' ' 49' ' ' ILE . 41.5 mt -101.43 120.53 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.433 0.693 . . . . 42.4 109.712 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -81.01 -42.21 21.5 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.949 0.499 . . . . 73.33 110.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ptm -148.84 139.01 22.3 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.456 -0.793 . . . . 72.41 109.418 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' HB ' HG21 ' A' ' 46' ' ' ILE . 10.4 tt -137.94 146.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.241 0.616 . . . . 64.44 110.805 -169.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.0 mt -130.12 113.5 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.533 1.133 . . . . 65.03 108.401 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 62' ' ' ILE . 47.0 t -108.82 111.37 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.696 0.798 . . . . 72.54 109.895 -176.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.606 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.9 tptp -101.34 109.62 21.49 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.827 -0.805 . . . . 72.43 108.827 173.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 77' ' ' SER . 8.5 t -155.1 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.453 -0.943 . . . . 74.35 108.453 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -139.98 22.21 2.45 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.07 0.548 . . . . 65.31 110.078 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.45 114.42 22.85 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.138 -0.69 . . . . 70.1 109.138 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 82' ' ' ILE . 35.4 mtmm -58.72 -36.67 74.67 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.959 1.304 . . . . 73.41 113.497 -174.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.1 -30.63 60.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.734 0.414 . . . . 72.31 111.095 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -68.5 -44.8 73.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.997 0.519 . . . . 73.02 109.784 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 75' ' ' ILE . 91.9 mt -56.42 -49.94 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 114.586 -1.188 . . . . 72.12 110.215 176.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -57.82 -43.04 85.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.527 -1.215 . . . . 63.44 111.741 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -60.87 -47.78 84.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.932 0.493 . . . . 73.21 111.798 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -61.23 -48.16 90.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 123.494 0.497 . . . . 61.33 109.996 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 56.0 mt -55.25 -47.78 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.743 0.652 . . . . 71.31 110.791 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.73 -46.99 74.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.133 0.973 . . . . 71.22 111.558 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' HG3' HG23 ' A' ' 38' ' ' ILE . 14.7 mm100 -64.18 -41.03 97.29 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 123.969 0.793 . . . . 75.03 111.412 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 71' ' ' ALA . 69.2 t -69.42 -34.74 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.662 0.785 . . . . 73.04 111.452 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 81.1 mt -64.25 -41.57 96.89 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.228 -0.656 . . . . 73.4 109.228 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.89 -40.87 91.97 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.422 -1.263 . . . . 75.23 111.304 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -87.76 -12.74 44.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.816 0.446 . . . . 72.21 112.044 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.5 77.93 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 123.584 0.553 . . . . 73.22 113.596 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -82.57 166.15 19.48 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.278 0.631 . . . . 43.14 110.396 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -86.34 138.03 32.13 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.039 -1.097 . . . . 72.24 108.039 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -140.38 135.14 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 121.218 0.532 . . . . 72.4 111.205 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' A' ' 50' ' ' ILE . 18.1 tp -116.98 117.9 30.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.875 1.27 . . . . 73.41 108.427 172.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 59' ' ' ILE . 40.0 mm -96.56 111.75 27.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.109 0.964 . . . . 75.44 109.356 174.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.05 127.62 52.96 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 75.13 108.669 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' THR . 22.6 m -136.31 143.55 44.23 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.309 -0.626 . . . . 54.43 109.309 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 m -79.36 11.68 2.82 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.55 0.74 . . . . 75.21 112.105 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.11 133.81 25.19 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.302 0.572 . . . . 71.44 110.968 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.01 -35.61 78.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.776 1.23 . . . . 75.24 112.188 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -70.28 -37.58 74.87 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 56' ' ' LYS . 62.4 mt -63.91 -48.9 84.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 115.482 -0.781 . . . . 53.22 109.65 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 31.6 mm -56.42 -42.46 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 123.335 0.397 . . . . 75.33 110.783 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -59.41 -46.01 89.9 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.543 0.737 . . . . 74.34 111.801 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 p -68.55 -36.59 79.01 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.289 -0.414 . . . . 22.52 111.28 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 82' ' ' ILE . 48.5 mm -71.34 -29.85 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 122.452 0.301 . . . . 74.54 110.485 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 30.3 mtm180 -68.85 -45.09 71.98 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.809 0.444 . . . . 70.11 111.666 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.62 -36.88 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.524 0.194 . . . . 61.21 111.524 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.13 -44.99 59.43 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.172 0.51 . . . . 75.43 110.884 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.422 ' O ' HG12 ' A' ' 93' ' ' VAL . 35.9 m-85 -127.83 92.09 43.37 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.748 -0.834 . . . . 63.13 108.748 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.13 -20.07 15.02 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 121.951 1.767 . . . . 74.13 112.977 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.83 -15.48 41.79 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.259 0.836 . . . . 75.11 113.259 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -78.38 141.17 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 CA-C-N 118.422 0.556 . . . . 53.44 109.971 175.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.36 113.98 12.21 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.266 -0.642 . . . . 74.14 109.266 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.3 p -119.68 136.88 54.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.242 0.617 . . . . 62.21 109.717 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.699 HH11 ' HB2' ' A' ' 107' ' ' ALA . 43.9 ttt180 -144.97 129.54 18.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.721 -0.844 . . . . 63.31 108.721 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 120.14 17.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.999 -0.741 . . . . 63.41 108.999 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.59 118.15 8.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.501 -1.296 . . . . 60.32 107.501 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.65 -59.19 1.78 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.403 0.62 . . . . 75.12 109.464 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.55 157.01 24.94 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.763 -1.108 . . . . 64.01 110.246 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.1 pttp -55.89 -34.95 66.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.327 1.451 . . . . 53.22 112.916 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -70.87 -39.61 72.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 123.677 0.61 . . . . 73.42 110.616 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.95 -34.15 76.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.531 0.732 . . . . 63.35 111.287 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 13' ' ' ILE . 69.5 t -74.77 -51.5 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.949 -0.569 . . . . 72.22 110.976 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 64.9 pttt -64.57 -34.14 77.56 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.205 0.315 . . . . 74.43 111.313 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.28 -43.54 88.02 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.805 1.242 . . . . 73.1 111.549 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.699 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -66.97 -38.44 86.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.645 0.778 . . . . 74.1 111.501 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 79.2 t -62.35 -55.03 26.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 123.932 0.893 . . . . 72.35 110.582 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.96 -41.79 71.55 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.494 1.118 . . . . 62.21 111.346 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.76 -47.78 74.05 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.974 0.91 . . . . 72.24 111.461 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -58.41 -37.82 76.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.636 1.174 . . . . 73.13 111.09 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.2 mt -77.63 -44.05 29.49 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.935 -1.03 . . . . 73.34 112.451 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.5 -32.71 70.3 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 111.965 0.358 . . . . 52.13 111.965 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.482 1.138 0 C-N-CA 123.027 0.531 . . . . 55.12 110.937 173.619 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 C--O 1.24 0.567 0 N-CA-C 107.63 -1.248 . . . . 73.42 107.63 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 t -88.36 119.54 35.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.888 -1.153 . . . . 75.0 107.888 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 29' ' ' GLN . 89.2 t -122.24 111.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 108.797 -0.816 . . . . 74.42 108.797 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 30' ' ' THR . 79.7 t80 -89.41 109.77 20.65 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 173.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 51' ' ' VAL . 61.0 tp -94.4 140.87 29.25 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.83 -1.174 . . . . 73.34 107.83 170.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.5 t -151.46 164.57 36.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.37 -0.604 . . . . 73.05 109.37 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 2.96 12.99 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.807 0.843 . . . . 70.42 109.269 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -126.7 121.72 32.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.734 1.214 . . . . 63.45 109.114 -167.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.06 -55.77 16.9 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.1 1.148 . . . . 74.35 114.1 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.76 -38.72 56.64 Favored 'General case' 0 N--CA 1.499 2.017 0 C-N-CA 123.698 0.799 . . . . 43.41 111.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.675 HD12 HG21 ' A' ' 104' ' ' VAL . 40.6 mm -55.28 -55.51 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.975 -1.466 . . . . 73.25 111.214 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.28 -37.17 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.614 1.166 . . . . 65.1 111.179 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -65.42 -37.69 87.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.161 0.984 . . . . 74.51 110.772 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 12.7 mm-40 -80.0 -37.57 33.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.091 -0.959 . . . . 43.55 112.19 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.37 -35.4 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.832 0.453 . . . . 73.22 110.239 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -70.08 -32.42 70.49 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.571 0.748 . . . . 74.21 110.5 175.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -60.97 -54.72 41.49 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.526 0.73 . . . . 73.22 109.915 172.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -56.12 -44.95 79.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.525 1.13 . . . . 73.4 111.301 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -66.06 -37.92 87.05 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.132 -0.94 . . . . 75.14 111.731 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.7 -49.48 46.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.738 0.415 . . . . 73.11 110.809 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.56 -50.13 72.79 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.76 0.824 . . . . 61.41 111.662 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -83.35 -14.72 52.25 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.576 -0.738 . . . . 54.5 111.839 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.93 18.57 72.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.254 0.346 . . . . 41.51 113.526 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -67.27 121.5 15.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.715 0.806 . . . . 75.32 110.25 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.47 105.9 10.05 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.983 -0.747 . . . . 72.25 108.983 172.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 21' ' ' ALA . 53.5 mt -133.69 126.32 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.121 0.969 . . . . 74.5 109.113 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HB3' HG22 ' A' ' 5' ' ' VAL . 21.5 tp60 -83.1 108.83 16.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.087 -0.709 . . . . 74.21 109.087 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 21.4 p -98.16 126.63 43.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.394 -0.595 . . . . 63.35 109.394 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 m -150.27 165.25 33.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.921 0.888 . . . . 71.14 110.354 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m120 -116.79 -22.12 8.71 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.9 0.88 . . . . 62.33 110.552 173.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.2 m-20 -68.63 86.07 0.31 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.367 0.667 . . . . 74.11 109.736 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -32.88 73.21 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.92 0.488 . . . . 72.22 109.723 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -62.24 -42.32 99.21 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.435 1.094 . . . . 64.43 111.495 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.8 tt0 -65.08 -45.6 84.59 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.872 0.732 . . . . 64.5 110.063 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 33' ' ' ASP . 37.2 mm -68.96 -37.13 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.62 -0.263 . . . . 64.31 111.363 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HE3' ' A' ' 42' ' ' LYS . 96.4 mt -60.14 -40.12 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.11 0.964 . . . . 74.35 109.492 171.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 13.9 t70 -63.91 -37.61 88.02 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.67 1.188 . . . . 75.2 111.233 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 25.6 mtp180 -77.07 -28.96 54.85 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.726 0.81 . . . . 71.03 110.853 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.6 mt -68.95 -33.14 73.22 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.901 0.88 . . . . 35.3 110.258 171.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HE3' HG22 ' A' ' 38' ' ' ILE . 99.0 mttt -66.2 -32.49 73.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.412 0.685 . . . . 73.32 110.614 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 77.4 mtt180 -74.54 -9.67 58.8 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.498 0.719 . . . . 72.51 111.125 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 65.96 17.72 10.88 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.028 1.331 . . . . 74.02 110.8 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.26 -26.66 47.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.53 1.132 . . . . 74.04 111.579 -168.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HB ' HD23 ' A' ' 41' ' ' LEU . 53.8 mt -91.56 124.9 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.134 -0.939 . . . . 74.25 109.463 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.14 -38.82 16.08 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.161 0.984 . . . . 61.4 110.22 -176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.414 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 12.5 ptp -151.03 146.2 26.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.971 -1.013 . . . . 73.01 109.436 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.0 tt -140.15 140.93 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.622 0.769 . . . . 71.14 109.23 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG21 HG22 ' A' ' 108' ' ' VAL . 46.8 mt -129.27 111.88 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.361 -0.977 . . . . 74.03 108.361 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 7' ' ' LEU . 46.1 t -111.45 117.19 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.441 0.697 . . . . 53.15 111.051 -174.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.3 tptp -101.84 109.56 21.34 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.9 0.88 . . . . 52.44 108.941 169.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -166.56 157.04 12.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.546 0.738 . . . . 73.44 109.343 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -93.59 -6.96 45.38 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.793 0.837 . . . . 72.43 109.928 173.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.04 94.09 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.881 -1.155 . . . . 71.23 107.881 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -57.05 -33.13 66.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.921 1.289 . . . . 74.02 112.965 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -75.08 -32.02 61.37 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.191 0.596 . . . . 72.22 110.687 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 t -63.01 -54.12 43.33 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.53 -0.915 . . . . 71.54 108.53 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.21 -48.79 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.926 1.391 . . . . 74.01 110.612 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.6 t -54.15 -55.84 23.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 73.45 111.454 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 42.7 mm-40 -62.52 -43.32 99.09 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.755 0.66 . . . . 65.1 111.802 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.504 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -53.6 -56.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 O-C-N 123.958 0.787 . . . . 65.4 110.029 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.5 mt -60.7 -40.83 86.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 124.045 0.84 . . . . 73.43 110.395 -174.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -54.04 -47.88 71.12 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.808 0.843 . . . . 72.12 110.952 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm100 -62.39 -42.17 99.22 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.646 0.591 . . . . 73.53 110.559 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.54 HG13 ' HB3' ' A' ' 71' ' ' ALA . 81.3 t -62.97 -38.28 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.751 1.22 . . . . 74.41 111.571 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 77.6 mt -67.1 -29.52 69.29 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.632 0.773 . . . . 61.11 110.945 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.61 -41.5 23.85 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.466 -0.788 . . . . 75.21 110.584 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.2 m -78.88 -12.66 60.04 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.031 0.752 . . . . 54.42 113.031 -169.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.77 52.51 28.87 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.644 -0.583 . . . . 50.12 111.644 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -124.75 171.45 10.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.347 1.059 . . . . 34.43 110.182 -175.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.5 mppt? -96.16 149.22 21.88 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.555 -0.906 . . . . 75.22 108.555 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.582 HG13 HG23 ' A' ' 93' ' ' VAL . 5.8 p -142.3 131.95 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.13 0.572 . . . . 44.41 110.357 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 45.9 tp -120.11 117.68 28.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.712 1.205 . . . . 73.35 108.48 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 63' ' ' ILE . 46.5 mm -106.22 123.22 60.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 123.204 0.602 . . . . 72.3 109.673 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 mt -117.63 132.96 56.42 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.999 1.319 . . . . 72.41 107.86 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.0 t -156.87 151.53 25.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.704 . . . . 72.11 109.12 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.3 p -95.64 9.7 39.35 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.249 1.02 . . . . 72.14 111.515 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 82' ' ' ILE . 16.6 t70 -118.81 128.53 54.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.842 0.457 . . . . 75.44 110.607 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.82 -51.24 66.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.88 1.272 . . . . 72.43 112.234 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.57 -37.36 85.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.639 0.775 . . . . 72.31 110.179 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 86' ' ' ILE . 71.1 mt -68.23 -55.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 115.192 -0.913 . . . . 71.25 110.315 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 29.1 mm -51.3 -48.97 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 123.961 0.788 . . . . 64.13 110.475 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -57.8 -48.72 78.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.239 0.962 . . . . 74.11 111.585 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.472 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.4 m -56.02 -45.52 79.09 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.923 0.764 . . . . 75.42 110.937 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.532 HG22 HG11 ' A' ' 93' ' ' VAL . 23.4 mm -66.64 -34.28 69.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-N 115.496 -0.775 . . . . 74.53 111.191 -175.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 60.0 mtm180 -67.03 -55.83 12.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 120.868 0.366 . . . . 70.34 110.771 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 60.5 pttt -72.41 -24.34 61.22 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.11 -0.496 . . . . 73.35 112.182 -170.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -80.49 -42.08 23.16 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.077 0.551 . . . . 71.5 111.128 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' VAL . 68.2 m-85 -120.6 108.23 37.65 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 123.063 0.545 . . . . 73.43 110.548 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.42 -29.01 11.61 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.573 2.182 . . . . 64.45 113.318 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -78.47 -15.24 58.84 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.179 0.807 . . . . 74.15 113.179 -175.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.582 HG23 HG13 ' A' ' 73' ' ' VAL . 11.2 p -81.39 137.02 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.648 0.261 . . . . 63.24 110.726 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 66.0 mm-40 -85.92 129.44 34.83 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 107.604 -1.258 . . . . 63.11 107.604 162.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.0 p -122.83 154.08 38.73 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.949 -0.76 . . . . 62.31 108.949 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 69.6 ttt180 -151.37 122.88 7.9 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.319 -1.363 . . . . 75.44 107.319 170.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -66.15 125.15 24.62 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.584 -0.895 . . . . 72.44 108.584 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.15 104.12 4.58 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.497 -0.927 . . . . 53.31 108.497 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -88.83 -20.82 24.17 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.815 -1.084 . . . . 55.32 109.859 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -106.31 136.56 45.82 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.578 0.751 . . . . 72.12 109.628 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 13' ' ' ILE . 43.9 pttt -61.59 -20.54 63.43 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.973 1.309 . . . . 71.33 111.906 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 22.5 mt-10 -65.4 -47.08 77.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.457 1.103 . . . . 63.23 109.411 172.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -70.3 -30.39 67.37 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.093 -1.412 . . . . 51.32 112.34 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.675 HG21 HD12 ' A' ' 13' ' ' ILE . 86.3 t -66.72 -54.42 25.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 122.893 0.477 . . . . 64.14 110.313 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.2 pttt -65.3 -32.48 74.16 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.113 0.258 . . . . 75.53 111.507 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.9 -42.69 99.87 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.763 0.825 . . . . 64.41 110.662 173.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.519 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -63.61 -38.9 92.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.539 0.736 . . . . 61.25 111.251 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 50' ' ' ILE . 85.5 t -61.52 -51.31 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.3 1.04 . . . . 72.33 110.587 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 43.2 tt0 -61.06 -47.07 88.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.563 0.745 . . . . 75.5 111.256 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -67.71 -27.38 66.76 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.72 0.808 . . . . 71.02 111.552 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 72' ' ' LYS . 47.5 t80 -69.86 -38.51 76.45 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.221 1.008 . . . . 75.14 109.37 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 99.1 mt -79.35 -29.71 42.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.878 -1.056 . . . . 60.13 113.042 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 98.9 mttt -66.62 -36.57 82.9 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.984 0.513 . . . . 74.44 110.794 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 CA--C 1.543 0.702 0 CA-C-N 115.209 -0.905 . . . . 75.42 110.17 175.801 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 120.629 0.252 . . . . 70.31 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -100.2 125.71 53.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 115.327 -0.852 . . . . 51.3 109.461 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.4 t -127.24 117.75 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.587 -0.894 . . . . 21.14 108.587 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' THR . 63.9 t80 -89.75 147.01 24.09 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.344 0.592 . . . . 74.52 110.367 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.4 tp -136.59 133.09 35.97 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.954 1.301 . . . . 60.43 108.053 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.6 t -144.87 151.38 38.64 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.705 -0.85 . . . . 72.31 108.705 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.62 -11.73 53.19 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 123.741 0.651 . . . . 64.53 109.639 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.45 139.17 51.25 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.863 0.865 . . . . 64.55 111.091 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.99 -43.85 86.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.022 1.329 . . . . 70.23 112.99 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.75 -34.51 78.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.618 0.367 . . . . 73.42 110.638 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' A' ' 52' ' ' LYS . 42.7 mm -65.51 -45.04 93.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.399 -0.819 . . . . 71.42 110.034 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 30' ' ' THR . 76.9 mt -52.98 -45.31 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.578 1.151 . . . . 75.41 110.609 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.14 -29.48 62.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.662 0.785 . . . . 74.22 112.381 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 48.9 mm-40 -70.55 -42.03 71.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.036 0.534 . . . . 73.33 111.428 176.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 HG11 ' A' ' 108' ' ' VAL . 89.2 t -74.97 -33.66 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.61 0.764 . . . . 71.32 110.79 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 t -64.18 -37.67 88.29 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.433 0.693 . . . . 73.03 109.884 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.0 tppp? -64.83 -49.06 72.11 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.826 -0.624 . . . . 74.31 109.873 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 1.3 tpmt? -55.57 -37.93 68.7 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.673 0.789 . . . . 71.03 111.116 178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.56 85.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.976 -1.011 . . . . 74.0 111.083 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.54 -46.23 80.34 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.446 0.466 . . . . 65.41 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 8.0 mm-40 -56.28 -47.32 78.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.748 0.819 . . . . 74.52 112.342 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 48.3 mm-40 -93.5 -14.19 26.94 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.685 0.624 . . . . 71.13 112.685 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.43 32.31 31.35 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 122.058 -0.115 . . . . 71.2 113.173 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 112' ' ' LEU . 23.4 m-85 -88.76 133.78 34.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.233 1.013 . . . . 71.12 110.126 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -84.5 91.31 7.82 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.069 0.938 . . . . 71.22 108.866 169.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.75 103.78 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 109.078 -0.712 . . . . 71.2 109.078 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.5 tp-100 -76.31 112.8 13.19 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 14' ' ' ILE . 53.8 p -97.87 150.17 21.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.978 0.511 . . . . 64.34 110.299 -175.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -154.51 162.43 41.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.441 0.696 . . . . 71.32 110.433 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -105.58 -30.06 9.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.13 0.972 . . . . 64.01 110.19 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.08 104.18 15.44 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.331 0.586 . . . . 65.34 110.139 -173.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -63.73 -27.55 69.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.687 1.195 . . . . 71.25 112.47 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.36 -41.22 80.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.28 0.632 . . . . 72.21 111.123 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -42.91 99.36 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.374 1.07 . . . . 72.2 109.919 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.99 -37.43 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 114.726 -1.124 . . . . 64.11 111.117 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 65' ' ' GLN . 66.6 mt -56.3 -44.57 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.328 0.651 . . . . 75.11 109.909 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 38.3 t70 -66.86 -33.27 75.23 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.708 -0.678 . . . . 64.04 111.466 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -71.28 -34.32 70.56 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 75.25 111.181 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.01 -32.56 73.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.331 0.652 . . . . 70.42 110.45 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -65.96 -30.64 71.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.86 0.864 . . . . 70.0 110.939 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.0 mtt180 -80.92 -13.9 58.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.281 0.632 . . . . 71.21 110.77 173.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.558 ' HG3' ' HB2' ' A' ' 69' ' ' SER . 55.0 ttt-85 62.33 21.89 12.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.519 1.527 . . . . 73.33 111.032 -173.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.73 -24.5 63.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 71.13 111.422 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.442 HG21 ' HB ' ' A' ' 49' ' ' ILE . 32.0 mt -97.25 125.36 50.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.411 -0.959 . . . . 75.31 108.411 -175.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -78.29 -46.53 19.98 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.792 0.806 . . . . 74.23 109.987 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 11.1 ptm -145.84 129.87 17.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.253 -1.339 . . . . 72.24 109.255 -174.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.5 tt -131.66 147.27 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.054 0.942 . . . . 70.04 109.655 -169.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 108' ' ' VAL . 51.4 mt -131.11 126.13 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.99 -1.115 . . . . 62.34 107.99 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 62' ' ' ILE . 66.2 t -122.14 111.59 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.237 0.615 . . . . 74.22 109.716 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HG2' HG21 ' A' ' 13' ' ' ILE . 44.6 tptt -101.37 110.36 22.35 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.009 -0.738 . . . . 74.32 109.009 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -171.41 160.8 6.18 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.601 0.761 . . . . 71.44 109.615 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.26 -4.61 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.843 0.857 . . . . 71.12 109.782 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.65 93.35 0.7 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.924 -0.769 . . . . 54.43 108.924 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 82' ' ' ILE . 95.2 mttt -54.54 -32.16 57.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.618 1.167 . . . . 74.43 112.654 -174.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.69 -41.25 79.45 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.542 0.737 . . . . 74.35 110.758 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -63.55 -52.43 61.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.12 0.568 . . . . 51.42 109.507 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.439 HG23 HD12 ' A' ' 75' ' ' ILE . 91.5 mt -51.68 -57.18 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 114.464 -1.244 . . . . 74.02 110.642 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.5 t -59.64 -48.91 79.79 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 124.091 0.87 . . . . 43.31 111.557 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 44.1 mt-10 -60.99 -47.95 84.08 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.314 0.646 . . . . 53.34 111.578 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.5 -47.01 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.521 0.513 . . . . 73.01 110.076 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 HG13 ' A' ' 75' ' ' ILE . 99.3 mt -57.86 -44.9 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 123.607 0.567 . . . . 72.45 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 60' ' ' SER . 94.0 mttt -55.03 -42.6 72.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.244 0.618 . . . . 74.12 110.479 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.543 ' HG3' HG23 ' A' ' 38' ' ' ILE . 88.1 mm-40 -72.23 -32.55 66.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.841 -1.072 . . . . 65.53 111.918 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 59.1 t -79.17 -26.77 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 122.672 0.389 . . . . 63.45 110.477 179.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.7 mt -70.4 -41.83 72.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.012 -0.736 . . . . 71.1 109.012 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.8 -41.31 92.09 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.956 -1.02 . . . . 72.11 111.273 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.558 ' HB2' ' HG3' ' A' ' 44' ' ' ARG . 77.9 p -79.88 -22.91 42.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.281 0.232 . . . . 71.25 110.857 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.41 33.02 80.72 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.486 -0.324 . . . . 62.14 112.316 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -91.81 -174.83 3.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.729 0.812 . . . . 74.42 110.902 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 137.46 37.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.173 -0.677 . . . . 74.13 109.173 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.69 HG13 HG23 ' A' ' 93' ' ' VAL . 7.5 p -141.15 139.51 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.041 0.536 . . . . 73.34 111.547 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 107' ' ' ALA . 43.8 tp -118.92 116.91 27.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.344 1.058 . . . . 74.11 108.938 173.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 63' ' ' ILE . 41.1 mm -95.77 120.68 45.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.988 0.915 . . . . 64.42 109.576 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 104' ' ' VAL . 88.3 mt -115.37 120.56 40.01 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.324 1.05 . . . . 72.14 108.567 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m -142.2 140.63 32.41 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.128 -1.064 . . . . 52.13 108.128 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 m -69.98 -32.93 71.4 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.32 0.648 . . . . 54.35 110.622 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.54 121.97 29.0 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.119 -0.946 . . . . 61.42 111.143 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.45 -30.75 71.78 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.511 1.124 . . . . 74.14 113.148 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -71.56 -32.17 67.79 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.669 -0.493 . . . . 62.34 109.669 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.439 HG12 ' HE2' ' A' ' 56' ' ' LYS . 79.9 mt -67.53 -53.84 28.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 C-N-CA 123.373 0.669 . . . . 60.44 109.218 173.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 38.2 mm -52.82 -46.15 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.928 0.767 . . . . 75.2 110.486 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.14 -51.32 70.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.647 0.779 . . . . 65.15 111.348 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.3 m -54.95 -43.49 73.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.905 0.753 . . . . 75.23 111.633 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.514 HG22 HG11 ' A' ' 93' ' ' VAL . 45.1 mm -71.8 -32.07 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.266 -0.879 . . . . 73.0 110.779 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 50.9 mtm180 -72.74 -46.8 51.61 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.361 0.264 . . . . 73.44 111.175 176.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.78 -31.25 61.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.571 0.349 . . . . 72.41 111.768 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -85.53 -44.78 12.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.827 0.451 . . . . 64.22 110.669 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.8 m-85 -114.75 96.3 43.76 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.538 -0.912 . . . . 62.33 108.538 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.73 -37.91 19.62 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.111 1.874 . . . . 53.3 112.741 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -76.09 -2.33 30.33 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.214 1.19 . . . . 74.41 114.214 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 73' ' ' VAL . 13.8 p -89.2 147.79 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.054 0.388 . . . . 52.11 110.712 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 2.2 mp0 -85.51 121.11 27.74 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.126 -1.064 . . . . 74.25 108.126 166.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 75' ' ' ILE . 70.8 p -119.59 156.46 30.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.588 -0.523 . . . . 64.4 109.588 171.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 103' ' ' GLU . 53.0 ttt-85 -156.17 127.63 7.18 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.049 -1.463 . . . . 62.22 107.049 170.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -63.9 118.14 7.98 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.954 -1.128 . . . . 73.44 107.954 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.15 105.03 6.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.979 -1.489 . . . . 74.04 106.979 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.86 -60.34 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.996 0.81 . . . . 63.24 109.006 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.48 158.85 15.81 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.845 -0.616 . . . . 74.45 110.28 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.568 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.8 pttm -53.24 -31.11 41.76 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.158 1.783 . . . . 74.32 112.726 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.657 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.1 pt-20 -65.48 -44.99 85.39 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.413 0.445 . . . . 73.42 109.964 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HH12 ' A' ' 96' ' ' ARG . 33.5 mt-10 -64.19 -28.72 69.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.459 -0.791 . . . . 53.22 111.672 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . 60.3 t -68.26 -58.62 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.745 -0.661 . . . . 73.54 109.932 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 62.0 pttt -66.98 -33.88 76.54 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.777 0.673 . . . . 64.32 111.689 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 69.6 m-20 -56.89 -53.15 61.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.894 0.478 . . . . 64.25 110.395 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -61.45 -32.0 71.97 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.916 0.887 . . . . 74.45 111.597 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 46.6 t -61.67 -51.35 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.909 0.883 . . . . 62.12 110.161 174.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 27.9 tt0 -60.4 -43.04 97.08 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.825 0.703 . . . . 71.21 109.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 19.9 mm-40 -59.29 -47.7 84.4 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.695 0.798 . . . . 61.24 110.635 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 48' ' ' MET . 70.5 t80 -59.09 -43.07 91.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.645 1.178 . . . . 71.31 111.16 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 21.7 mt -76.95 -38.11 53.96 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.63 -0.714 . . . . 64.13 112.183 -175.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -68.12 -35.57 78.33 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.742 0.417 . . . . 74.33 110.837 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 115.775 -0.648 . . . . 73.4 111.367 176.02 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 46' ' ' ILE . 2.0 tpmt? . . . . . 0 C--O 1.242 0.684 0 N-CA-C 107.118 -1.438 . . . . 73.54 107.118 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -85.6 118.74 32.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.82 -1.178 . . . . 74.45 107.82 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 37' ' ' ILE . 87.9 t -121.64 119.74 59.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.28 -0.637 . . . . 50.21 109.28 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -94.7 130.92 41.02 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 171.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -126.45 127.09 44.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.572 -1.27 . . . . 71.41 107.572 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -152.62 152.58 31.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.048 0.452 . . . . 63.4 110.062 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.44 -24.83 24.04 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.089 -0.96 . . . . 70.52 109.708 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.11 135.1 34.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.44 1.096 . . . . 73.32 110.184 -171.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -67.34 -58.53 4.63 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.101 1.148 . . . . 74.3 114.101 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.01 -35.55 78.89 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 118.142 0.428 . . . . 74.03 111.312 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.665 HD12 HG21 ' A' ' 104' ' ' VAL . 38.9 mm -51.61 -53.44 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 O-C-N 124.599 1.187 . . . . 74.05 111.321 173.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.8 -39.03 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.145 0.578 . . . . 70.11 110.568 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.69 -39.21 93.28 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.563 0.745 . . . . 64.13 112.08 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 35.3 mm-40 -72.67 -42.6 64.11 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.668 0.787 . . . . 72.44 111.731 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG13 HG11 ' A' ' 108' ' ' VAL . 70.1 t -68.55 -37.59 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.779 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -60.71 -45.01 95.84 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.742 0.817 . . . . 71.21 110.532 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 4.2 tppp? -63.88 -54.46 34.53 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.069 0.856 . . . . 74.44 110.255 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -48.81 72.95 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.299 0.999 . . . . 75.23 111.223 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.97 75.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.144 -0.935 . . . . 72.33 111.267 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.34 -41.51 93.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.732 0.813 . . . . 65.41 111.428 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 32.8 mm-40 -63.93 -38.44 91.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.296 0.638 . . . . 73.42 111.34 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.31 -10.3 58.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.106 0.563 . . . . 72.24 112.303 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.26 69.58 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 114.613 0.605 . . . . 54.42 114.613 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -75.38 123.8 26.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.889 0.476 . . . . 75.03 110.051 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.04 98.13 11.59 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.686 -0.857 . . . . 75.22 108.686 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.513 HD11 HD11 ' A' ' 112' ' ' LEU . 28.6 mt -105.11 128.06 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.411 0.684 . . . . 74.12 109.354 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG22 ' A' ' 5' ' ' VAL . 30.0 tp60 -75.7 108.34 8.48 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.456 -0.942 . . . . 71.42 108.456 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.39 139.05 34.72 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.164 0.586 . . . . 72.34 109.647 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -154.03 161.59 41.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.532 0.733 . . . . 61.34 111.0 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -114.28 -35.98 4.82 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.681 1.193 . . . . 74.03 109.619 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.32 99.31 7.05 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 122.199 0.999 . . . . 71.35 109.488 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.64 -18.97 65.72 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.783 -1.098 . . . . 73.05 112.702 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -56.44 -38.52 71.73 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.464 0.706 . . . . 74.05 111.347 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.8 -46.83 70.82 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.245 0.618 . . . . 61.32 110.531 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 HG11 ' A' ' 5' ' ' VAL . 25.3 mm -71.73 -46.16 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.807 -1.088 . . . . 75.4 112.188 -169.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 65' ' ' GLN . 68.2 mt -55.28 -39.2 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.42 1.088 . . . . 70.22 110.377 173.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.25 -41.7 89.58 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.167 -0.924 . . . . 74.35 110.958 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -76.8 -23.68 52.84 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.733 0.413 . . . . 73.12 111.374 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' ' 46' ' ' ILE . 96.7 mt -61.87 -47.85 83.16 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.29 -0.633 . . . . 65.14 109.29 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.15 -28.26 69.93 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.952 0.901 . . . . 73.2 112.182 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -83.25 -9.05 59.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.189 0.596 . . . . 71.44 111.962 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 63.09 21.18 12.73 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.906 1.283 . . . . 74.44 111.28 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -79.78 -21.83 43.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.169 0.988 . . . . 63.13 111.076 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 3' ' ' LYS . 59.0 mt -93.86 130.56 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.331 0.652 . . . . 63.2 109.451 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 14.6 t70 -90.55 -44.59 9.47 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.457 0.703 . . . . 71.12 109.817 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -148.35 136.29 20.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.507 -0.77 . . . . 71.23 109.497 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 4.7 tt -134.02 133.73 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.742 0.817 . . . . 75.25 109.177 -173.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 HG22 ' A' ' 108' ' ' VAL . 64.5 mt -119.57 116.12 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.612 -1.255 . . . . 74.0 107.612 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 62' ' ' ILE . 26.0 t -108.37 133.79 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.663 0.785 . . . . 74.1 109.716 -175.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.7 tptp -123.08 106.76 11.08 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.462 -0.94 . . . . 74.14 108.462 170.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 t -157.25 144.82 18.84 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.076 -1.083 . . . . 75.42 108.076 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.06 4.62 52.69 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.492 0.717 . . . . 62.4 109.852 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.46 101.19 13.64 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.272 -0.64 . . . . 73.44 109.272 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 82' ' ' ILE . 14.6 ptmm? -60.17 -25.98 65.96 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.306 1.043 . . . . 70.35 113.519 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.1 -39.95 60.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.713 0.405 . . . . 73.11 110.927 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.2 p -72.52 -37.6 68.31 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.955 -0.387 . . . . 74.3 109.955 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 75' ' ' ILE . 80.6 mt -54.42 -50.98 53.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 O-C-N 123.812 0.695 . . . . 75.35 109.714 172.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.3 t -53.74 -45.9 70.69 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.455 1.097 . . . . 72.21 111.109 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -58.51 -51.38 70.1 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.614 0.766 . . . . 70.22 111.98 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -55.4 -50.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 123.558 0.536 . . . . 74.1 110.304 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 HG13 ' A' ' 75' ' ' ILE . 67.6 mt -60.46 -40.02 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.5 0.5 . . . . 64.01 110.956 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.5 -39.83 89.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.187 0.595 . . . . 74.45 110.543 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 38' ' ' ILE . 14.3 mm-40 -80.85 -17.04 52.03 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.805 -0.634 . . . . 73.43 111.763 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 94.7 t -83.91 -25.41 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.492 0.717 . . . . 71.25 110.047 170.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -74.68 -31.59 61.96 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.705 -0.85 . . . . 75.5 108.705 171.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.89 -42.8 66.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.434 -0.803 . . . . 74.32 111.43 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 77.6 p -77.24 -49.57 14.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.136 0.493 . . . . 53.21 111.749 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.48 29.12 12.67 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 114.84 -1.073 . . . . 51.21 111.467 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.75 169.67 15.91 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.369 0.668 . . . . 72.34 111.184 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 143.1 29.44 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 108.212 -1.033 . . . . 75.32 108.212 166.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.24 140.45 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 122.872 0.469 . . . . 74.13 111.656 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.38 117.56 25.48 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.368 1.067 . . . . 71.13 108.557 171.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 HD11 ' A' ' 63' ' ' ILE . 27.5 mm -94.2 124.3 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 123.446 0.698 . . . . 74.3 109.975 175.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -122.7 123.47 41.18 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.188 1.395 . . . . 73.31 107.49 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 t -138.77 150.21 45.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.959 -0.756 . . . . 33.14 108.959 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.9 m -83.34 11.02 7.33 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.369 0.668 . . . . 73.42 112.174 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -139.89 126.79 20.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.768 0.827 . . . . 62.33 109.336 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 97' ' ' ARG . 12.4 pt-20 -74.86 -24.2 58.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.976 0.91 . . . . 45.44 113.156 -175.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.14 -30.75 49.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 109.181 -0.674 . . . . 54.23 109.181 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 56' ' ' LYS . 58.2 mt -68.33 -48.88 71.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 CA-C-N 114.83 -1.077 . . . . 71.13 109.402 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 28.2 mm -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.482 0.489 . . . . 52.45 110.438 175.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.43 -44.81 89.29 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 124.004 0.922 . . . . 73.0 111.042 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.536 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 38.4 t -62.83 -43.13 99.62 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 114.926 -1.034 . . . . 72.15 111.23 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.1 mm -65.58 -31.37 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 71.0 110.774 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 81.1 mtm180 -73.99 -44.26 55.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.104 0.562 . . . . 71.34 111.918 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 65.4 pttt -68.29 -36.83 79.96 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.866 0.104 . . . . 74.11 111.075 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -74.61 -46.24 39.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.474 0.71 . . . . 74.4 110.625 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -128.77 93.6 36.96 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.011 0.925 . . . . 65.13 109.257 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.73 -19.35 14.44 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.371 2.047 . . . . 74.2 113.218 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -72.0 -23.81 61.47 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.508 0.929 . . . . 73.22 113.508 -176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 73' ' ' VAL . 4.5 p -83.07 137.24 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.542 0.337 . . . . 72.43 111.828 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.82 113.3 4.79 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 168.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.432 ' HB ' HG23 ' A' ' 83' ' ' ILE . 24.9 p -116.51 144.47 44.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.39 0.676 . . . . 73.14 109.722 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -158.33 131.0 7.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.957 -1.127 . . . . 73.45 107.957 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 80' ' ' GLU . 41.6 ttp180 -72.75 133.02 44.35 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.571 -0.9 . . . . 75.14 108.571 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 106.01 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.488 -1.301 . . . . 73.44 107.488 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -99.59 -47.97 4.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.195 0.998 . . . . 54.42 108.365 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.71 143.87 43.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.266 -1.334 . . . . 55.1 109.472 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 49.8 pttt -67.65 -26.18 66.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.718 0.807 . . . . 75.24 111.189 177.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.2 pt-20 -70.22 -40.32 74.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.614 0.766 . . . . 70.44 110.985 171.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.74 -35.73 77.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.7 0.8 . . . . 73.41 111.739 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 13' ' ' ILE . 65.0 t -70.94 -53.53 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 O-C-N 123.458 0.474 . . . . 63.35 110.646 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.568 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 65.0 pttt -65.62 -35.74 81.67 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 111.9 0.333 . . . . 64.21 111.9 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.15 -46.68 87.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.35 1.06 . . . . 72.3 111.605 170.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.27 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.537 0.735 . . . . 74.25 111.644 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 50' ' ' ILE . 62.1 t -64.94 -56.89 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.261 -0.881 . . . . 73.13 110.092 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -52.71 -43.87 65.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.093 0.957 . . . . 61.43 111.701 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.68 -42.73 81.65 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.308 -0.86 . . . . 72.21 110.99 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -63.16 -32.51 73.92 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.073 0.949 . . . . 61.25 110.986 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.513 HD11 HD11 ' A' ' 28' ' ' ILE . 81.7 mt -76.09 -46.59 28.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.513 1.125 . . . . 74.23 111.35 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.03 -25.29 63.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.172 0.589 . . . . 73.31 112.03 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 65.15 110.943 172.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 C--O 1.241 0.635 0 N-CA-C 110.532 -0.174 . . . . 73.53 110.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 48' ' ' MET . 5.2 t -96.66 131.88 42.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.23 -1.026 . . . . 63.43 108.23 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.577 HG11 HD12 ' A' ' 37' ' ' ILE . 65.3 t -131.67 121.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.006 -0.739 . . . . 54.24 109.006 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HD1' ' HB ' ' A' ' 50' ' ' ILE . 59.2 t80 -97.11 106.45 18.78 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.597 -0.52 . . . . 71.23 109.597 175.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.513 HD13 HG13 ' A' ' 37' ' ' ILE . 58.6 tp -94.34 139.95 30.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.834 -1.173 . . . . 44.52 107.834 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -151.29 170.22 20.04 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.608 0.718 . . . . 74.11 111.398 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.57 -33.46 11.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.73 1.612 . . . . 62.11 110.696 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -123.13 144.16 49.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.001 0.52 . . . . 73.24 111.628 -172.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.22 -45.65 72.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.914 1.286 . . . . 74.44 112.777 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.71 -24.22 67.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.084 0.554 . . . . 64.33 111.394 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.628 HG21 ' HG2' ' A' ' 52' ' ' LYS . 43.0 mm -70.32 -52.72 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-N 114.993 -1.003 . . . . 71.34 109.135 173.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.4 -42.0 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.044 1.338 . . . . 70.24 111.896 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.87 -43.87 97.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.165 0.986 . . . . 73.11 111.305 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 11.0 mm-40 -70.51 -39.81 73.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.724 0.81 . . . . 64.2 112.104 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 108' ' ' VAL . 58.9 t -65.71 -43.07 93.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 123.243 0.617 . . . . 70.11 111.233 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.5 t -64.81 -35.9 82.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.909 0.884 . . . . 64.44 110.65 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 3.9 tppp? -63.35 -48.79 76.49 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.067 0.547 . . . . 75.13 110.248 175.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -41.87 83.96 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.362 0.665 . . . . 74.45 111.063 176.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -65.21 -35.71 81.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.663 0.785 . . . . 74.51 111.605 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.16 -53.04 15.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.126 0.57 . . . . 73.13 110.301 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 31.9 mm-40 -57.7 -37.84 74.2 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.069 0.856 . . . . 63.51 112.505 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -90.5 -20.37 22.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 111.95 0.352 . . . . 75.51 111.95 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 30.9 27.83 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.091 0.396 . . . . 31.4 114.091 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -85.04 149.04 25.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.52 0.728 . . . . 62.41 110.377 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -96.58 87.22 4.32 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.771 0.829 . . . . 64.32 109.141 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.589 HD12 ' HB2' ' A' ' 21' ' ' ALA . 16.6 mt -112.96 108.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.846 -0.615 . . . . 75.13 109.87 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.2 tp-100 -78.28 118.09 20.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.688 -0.856 . . . . 60.11 108.688 174.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.28 135.56 39.73 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.439 0.696 . . . . 75.14 109.976 -175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -147.93 157.06 43.33 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.531 0.732 . . . . 75.11 110.778 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.61 -12.78 10.28 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.812 1.245 . . . . 74.45 109.651 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.54 104.1 16.09 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.547 0.739 . . . . 73.34 109.996 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -68.47 -26.39 65.47 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.781 0.832 . . . . 73.13 112.298 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.89 -41.25 95.68 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 123.549 0.531 . . . . 74.31 110.748 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.3 tt0 -62.47 -50.82 69.9 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.192 -0.913 . . . . 70.14 109.77 174.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD12 HG11 ' A' ' 5' ' ' VAL . 41.7 mm -63.35 -43.94 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.622 1.169 . . . . 71.34 112.678 -169.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 65' ' ' GLN . 73.5 mt -54.36 -45.34 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.856 1.263 . . . . 72.43 110.545 174.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.16 -33.23 75.51 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.462 -1.244 . . . . 75.04 110.893 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtp180 -75.56 -36.27 60.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.627 0.771 . . . . 74.34 111.058 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.11 -39.84 87.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.364 0.666 . . . . 65.13 110.557 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -57.56 -38.83 75.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 123.719 0.637 . . . . 55.25 111.557 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -79.92 -12.77 59.71 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.035 0.934 . . . . 75.52 112.574 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 61.74 30.07 18.27 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 123.953 0.783 . . . . 63.55 109.836 -166.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 19.5 t-20 -71.66 -27.11 62.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.631 -1.168 . . . . 74.45 109.798 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.402 HG21 ' HB ' ' A' ' 49' ' ' ILE . 27.6 mt -115.81 129.32 72.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.837 1.255 . . . . 73.24 108.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.67 -32.55 13.33 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.281 0.633 . . . . 74.12 111.433 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.2 ptm -150.09 129.86 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.644 0.735 . . . . 72.35 109.402 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.1 tt -133.69 146.17 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.426 1.091 . . . . 65.3 109.195 -168.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.421 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 55.2 mt -129.2 123.53 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.333 -0.988 . . . . 51.35 108.333 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -117.33 111.46 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.477 0.711 . . . . 63.43 109.869 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 13' ' ' ILE . 45.9 tptt -99.59 106.91 18.93 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.94 -0.763 . . . . 63.13 108.94 173.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.429 HG22 HG12 ' A' ' 51' ' ' VAL . 10.7 t -166.52 159.56 14.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.02 0.928 . . . . 74.33 109.473 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.596 0.758 . . . . 72.5 110.816 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -77.35 105.44 8.47 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.586 -0.894 . . . . 75.43 108.586 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -58.07 -33.45 69.06 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.36 1.464 . . . . 74.53 111.92 -172.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.05 -31.18 50.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.658 0.783 . . . . 74.24 111.578 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -66.85 -47.91 70.45 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.126 0.571 . . . . 74.11 109.498 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.05 -50.64 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 114.009 -1.451 . . . . 72.03 109.893 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -55.06 -51.31 66.75 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 124.517 1.135 . . . . 64.25 111.734 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 61.4 mm-40 -61.54 -45.86 92.36 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.82 0.7 . . . . 75.33 112.128 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.88 -49.56 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.397 0.435 . . . . 72.23 110.303 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 HG13 ' A' ' 75' ' ' ILE . 80.5 mt -59.83 -42.06 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 O-C-N 123.805 0.691 . . . . 62.23 110.593 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -57.67 -40.78 80.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.839 0.856 . . . . 74.14 110.96 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.3 mm100 -70.44 -35.36 73.33 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.708 -0.678 . . . . 73.22 111.145 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 ' HB3' ' A' ' 71' ' ' ALA . 74.7 t -77.59 -30.78 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 75.23 111.738 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.5 mt -67.01 -36.6 82.51 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.307 -0.627 . . . . 73.2 109.307 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.34 -41.62 32.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.526 -1.216 . . . . 62.35 111.775 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -77.87 -40.45 40.02 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.938 0.495 . . . . 63.23 110.606 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.05 44.8 4.03 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 115.76 -0.654 . . . . 72.5 112.473 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.69 174.01 6.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.282 0.633 . . . . 53.41 110.091 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -94.67 133.51 38.27 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 107.281 -1.377 . . . . 73.44 107.281 168.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.707 HG13 HG23 ' A' ' 93' ' ' VAL . 6.5 p -131.85 126.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.024 0.375 . . . . 52.31 110.43 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.414 ' HB3' HG12 ' A' ' 50' ' ' ILE . 56.1 tp -108.37 109.87 21.29 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.999 0.92 . . . . 72.54 108.908 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 45.8 mm -91.93 116.04 32.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 123.771 0.829 . . . . 74.11 109.115 175.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 92.4 mt -110.32 125.56 53.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.232 1.013 . . . . 65.21 108.364 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 t -145.54 151.56 38.33 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.988 -0.745 . . . . 62.21 108.988 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -74.87 -35.84 62.31 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.901 0.48 . . . . 70.15 111.304 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -88.43 127.26 35.5 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.27 0.557 . . . . 64.41 110.441 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' ' 97' ' ' ARG . 12.6 pt-20 -74.03 -18.29 60.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.957 -1.019 . . . . 54.21 111.725 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -82.32 -28.6 31.54 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.741 -0.466 . . . . 71.13 109.741 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 86' ' ' ILE . 75.6 mt -65.4 -54.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 N-CA-C 108.449 -0.945 . . . . 71.21 108.449 168.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 33.3 mm -50.99 -46.96 30.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 O-C-N 124.441 1.088 . . . . 72.25 110.655 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.23 -45.37 91.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.668 0.787 . . . . 74.52 111.208 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -61.66 -38.27 87.15 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.09 0.556 . . . . 42.32 110.942 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 HG11 ' A' ' 93' ' ' VAL . 46.5 mm -70.66 -29.78 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 123.103 0.561 . . . . 74.35 110.682 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 41.6 mtm180 -73.02 -37.02 67.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.73 0.412 . . . . 74.55 111.676 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.41 -37.72 31.63 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 111.682 0.252 . . . . 74.31 111.682 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.11 -45.82 66.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.913 0.485 . . . . 70.51 110.432 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' O ' HG12 ' A' ' 93' ' ' VAL . 22.9 m-85 -125.21 93.15 45.92 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.414 -0.958 . . . . 74.03 108.414 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.6 -29.34 52.29 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 C-N-CA 121.71 1.606 . . . . 51.1 113.913 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -80.96 -2.15 46.6 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 113.655 0.983 . . . . 72.4 113.655 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.707 HG23 HG13 ' A' ' 73' ' ' VAL . 11.3 p -82.46 147.94 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.166 0.439 . . . . 64.33 110.242 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.55 120.0 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.472 -1.307 . . . . 74.41 107.472 165.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 p -123.19 150.68 43.05 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.383 0.673 . . . . 61.42 109.248 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -158.32 126.01 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.652 -1.24 . . . . 72.24 107.652 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' HB3' ' A' ' 80' ' ' GLU . 66.6 ttt180 -67.17 118.31 10.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.42 -0.585 . . . . 73.04 109.42 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -137.72 105.85 5.72 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 107.247 -1.39 . . . . 55.32 107.247 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.94 -55.94 3.43 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.711 0.632 . . . . 73.14 109.897 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -96.22 159.22 15.07 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.778 -1.101 . . . . 63.02 109.472 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.37 -30.16 64.64 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.789 1.236 . . . . 64.4 112.437 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.2 pt-20 -62.27 -48.68 78.85 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.557 0.743 . . . . 73.24 110.523 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.55 -36.63 83.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.869 0.868 . . . . 72.22 111.41 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.8 t -67.41 -53.85 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 123.785 0.678 . . . . 65.14 110.755 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 58.4 pttt -63.33 -33.87 76.47 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.573 0.546 . . . . 55.04 111.32 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.74 -45.49 89.63 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.417 0.687 . . . . 75.35 111.389 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.94 85.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.432 0.693 . . . . 63.03 111.38 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 17' ' ' VAL . 72.1 t -62.51 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 124.099 0.96 . . . . 63.41 110.333 176.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.37 -48.29 68.71 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.93 0.892 . . . . 74.22 111.001 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.38 -18.9 58.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.384 1.074 . . . . 75.3 111.926 -176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.413 ' HB2' HD22 ' A' ' 74' ' ' LEU . 65.9 t80 -71.57 -39.49 70.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.429 -0.582 . . . . 61.14 109.429 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 28' ' ' ILE . 59.1 mt -80.07 -48.91 12.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.008 -0.996 . . . . 70.41 112.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -73.66 -34.22 64.82 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.056 0.543 . . . . 64.31 112.269 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 122.041 0.136 . . . . 73.43 110.661 176.802 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.42 0.629 . . . . 70.21 109.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.98 82.09 1.46 Allowed Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.378 -1.489 . . . . 71.14 109.378 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.26 95.82 0.14 Allowed 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.462 0.705 . . . . 72.11 111.051 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.96 120.89 37.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.004 -1.11 . . . . 73.33 108.004 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.2 t -124.24 117.41 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.454 -0.572 . . . . 75.23 109.454 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -88.63 146.96 24.79 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 75.15 109.844 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.5 tp -135.61 130.36 34.3 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.01 1.324 . . . . 74.0 108.462 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 38.1 t -156.09 138.81 15.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.627 0.771 . . . . 71.41 109.207 170.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.4 -21.17 60.56 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.949 0.9 . . . . 72.33 111.04 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -101.47 134.2 44.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.663 0.785 . . . . 75.31 110.509 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.09 -46.51 74.02 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.026 0.93 . . . . 75.14 112.33 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.48 -24.82 67.99 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.75 0.42 . . . . 73.53 112.061 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 101' ' ' LYS . 29.3 mm -68.95 -51.91 39.62 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 N-CA-C 109.141 -0.689 . . . . 52.13 109.141 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -54.77 -39.49 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.709 1.204 . . . . 63.45 111.371 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.51 -41.56 96.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.8 0.84 . . . . 74.42 111.365 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.655 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 43.9 mm-40 -74.46 -37.06 63.33 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.799 0.687 . . . . 74.22 112.083 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 HG11 ' A' ' 108' ' ' VAL . 78.1 t -68.09 -40.95 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.272 0.629 . . . . 74.33 110.515 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 t -67.07 -31.54 72.11 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.542 -0.754 . . . . 55.53 110.578 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.8 tppt? -71.23 -44.92 64.39 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.228 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -60.45 -39.39 87.37 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.18 0.592 . . . . 70.22 110.679 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.59 -26.14 66.12 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.724 -0.671 . . . . 65.44 111.542 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.0 -53.51 8.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.413 0.685 . . . . 63.41 110.399 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 12.9 mm-40 -55.52 -49.78 71.73 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.778 0.831 . . . . 55.52 111.774 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.49 -20.48 29.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.701 0.8 . . . . 65.21 112.275 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 38.13 47.74 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.526 -0.23 . . . . 54.15 112.526 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -83.34 143.86 30.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 73.44 111.298 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.87 107.87 16.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.238 1.015 . . . . 70.21 109.446 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 21' ' ' ALA . 22.2 mt -136.44 143.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.216 0.606 . . . . 51.34 109.475 174.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -105.55 114.52 28.73 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.269 -1.011 . . . . 73.32 108.269 165.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -96.91 132.93 42.18 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.583 -0.525 . . . . 74.21 109.583 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -131.66 149.63 52.43 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.101 0.96 . . . . 43.34 109.355 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.2 t-20 -101.19 -28.68 12.53 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.337 0.655 . . . . 74.34 110.74 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.82 120.07 36.48 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.515 0.726 . . . . 62.2 111.404 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 58' ' ' SER . 13.2 ptpt -69.18 -33.65 73.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.981 0.913 . . . . 72.25 112.98 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.39 -36.7 81.86 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.056 0.543 . . . . 73.15 110.533 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 23.3 tt0 -58.14 -50.3 73.99 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 114.955 -1.02 . . . . 70.3 109.587 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.95 -38.23 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 114.776 -1.102 . . . . 75.32 111.656 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 98.4 mt -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.459 0.703 . . . . 65.31 110.069 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 29.1 t70 -74.46 -31.05 62.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.224 0.609 . . . . 61.15 111.721 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.4 mtp180 -70.74 -34.37 71.8 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.166 0.508 . . . . 64.45 110.001 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.52 -26.42 55.22 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.19 -0.914 . . . . 65.2 110.833 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 10.3 mtpm? -64.78 -34.51 78.52 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.251 0.62 . . . . 65.3 110.566 170.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -85.6 -7.92 58.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.3 0.64 . . . . 74.35 111.163 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.32 21.73 10.01 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 125.077 1.351 . . . . 74.4 111.734 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.08 11.6 15.73 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.96 0.904 . . . . 71.54 112.581 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.521 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.2 mt -110.52 122.87 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.369 -0.975 . . . . 63.23 108.369 169.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.06 -39.28 23.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.272 0.629 . . . . 71.02 110.671 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.68 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 13.9 ptm -151.28 135.16 16.51 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.042 0.937 . . . . 65.12 108.903 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.4 tt -134.63 148.74 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.36 0.664 . . . . 71.3 110.343 -169.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.435 HG21 HG22 ' A' ' 108' ' ' VAL . 56.6 mt -133.1 119.11 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.023 -1.103 . . . . 64.15 108.023 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -115.51 114.87 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.488 0.715 . . . . 71.32 109.796 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -107.43 112.9 25.91 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.914 0.885 . . . . 73.01 109.401 173.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.424 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.0 t -174.84 162.88 3.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.556 1.142 . . . . 73.04 109.124 173.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.03 -8.56 30.11 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.466 0.707 . . . . 73.33 109.938 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.12 95.92 1.02 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 73.33 109.897 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -56.25 -30.2 62.1 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.848 1.259 . . . . 75.32 112.234 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.93 -47.77 84.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.119 0.967 . . . . 75.31 111.425 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 68.7 p -71.37 -48.31 50.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.852 0.461 . . . . 53.45 110.394 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.424 HD11 ' O ' ' A' ' 53' ' ' THR . 90.2 mt -51.04 -54.41 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 123.898 0.749 . . . . 75.25 110.656 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.34 -58.02 9.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 62.44 111.482 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 53.7 mm-40 -64.02 -42.73 97.03 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.598 0.592 . . . . 72.14 112.598 -172.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.643 HG21 HG21 ' A' ' 51' ' ' VAL . 1.6 mp -57.17 -49.08 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 123.537 0.523 . . . . 65.41 110.164 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 75' ' ' ILE . 86.9 mt -58.57 -42.93 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 122.669 0.388 . . . . 52.34 110.687 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -62.56 -30.88 71.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.826 0.85 . . . . 72.41 111.142 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 25.9 mm-40 -77.75 -30.72 51.71 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.825 -0.625 . . . . 74.02 111.618 173.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.578 HG11 ' HB ' ' A' ' 73' ' ' VAL . 79.7 t -74.05 -30.61 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 122.965 0.506 . . . . 53.22 110.655 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.4 mt -62.27 -40.62 96.84 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.58 -0.526 . . . . 74.23 109.58 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.62 -42.1 91.93 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.253 -0.885 . . . . 73.31 110.852 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.8 p -80.41 -24.86 39.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.809 0.444 . . . . 51.21 112.135 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.59 25.96 74.86 Favored Glycine 0 C--N 1.348 1.23 0 O-C-N 123.234 0.334 . . . . 52.12 112.646 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -84.62 172.2 11.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.755 . . . . 62.0 111.217 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -84.57 139.34 32.17 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.815 -1.18 . . . . 60.43 107.815 170.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.687 HG13 HG23 ' A' ' 93' ' ' VAL . 4.6 p -136.17 130.85 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.146 0.578 . . . . 63.5 110.567 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.46 113.88 22.02 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.166 0.986 . . . . 63.44 108.805 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.52 ' HB ' HG22 ' A' ' 95' ' ' THR . 48.6 mm -97.67 125.61 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 123.479 0.712 . . . . 70.51 109.544 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 122.49 38.26 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.853 1.261 . . . . 74.44 108.257 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.6 p -146.56 152.55 39.13 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.641 -0.504 . . . . 54.24 109.641 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.5 t -67.33 -33.27 74.91 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.801 0.84 . . . . 74.1 110.684 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -91.23 122.64 34.03 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-N 115.202 -0.908 . . . . 72.3 111.045 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -72.28 -23.2 61.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.597 -1.183 . . . . 62.23 111.304 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -74.81 -33.85 62.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.992 -0.744 . . . . 74.55 108.992 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.437 HG12 ' HE2' ' A' ' 56' ' ' LYS . 80.9 mt -64.3 -54.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 N-CA-C 109.191 -0.67 . . . . 73.05 109.191 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' HB ' ' A' ' 95' ' ' THR . 31.2 mm -51.1 -53.75 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 124.179 0.924 . . . . 70.15 110.572 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 -38.17 90.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.771 0.828 . . . . 73.52 111.967 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 m -59.16 -42.82 91.68 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.498 0.319 . . . . 71.53 110.707 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.685 HG22 HG11 ' A' ' 93' ' ' VAL . 46.3 mm -69.17 -31.66 50.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.776 -0.647 . . . . 73.15 110.817 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 72.2 mtp85 -70.19 -46.44 64.59 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.979 0.512 . . . . 70.11 111.755 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -74.33 -30.41 62.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.533 0.333 . . . . 70.21 111.395 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -76.79 -41.66 43.65 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.808 0.443 . . . . 73.32 110.799 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 93' ' ' VAL . 34.9 m-85 -125.23 104.22 29.14 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 123.451 0.7 . . . . 64.45 109.143 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.51 -29.77 24.5 Favored 'Trans proline' 0 C--N 1.368 1.569 0 C-N-CA 122.18 1.92 . . . . 74.11 113.497 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -85.82 -6.63 59.07 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.714 1.005 . . . . 73.21 113.714 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.687 HG23 HG13 ' A' ' 73' ' ' VAL . 12.4 p -75.69 141.94 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.097 0.408 . . . . 74.5 110.328 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.475 ' HG3' ' HE1' ' A' ' 111' ' ' PHE . 9.9 mm-40 -85.31 127.18 34.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 106.658 -1.608 . . . . 74.13 106.658 167.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 83' ' ' ILE . 3.2 p -135.85 140.53 44.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.868 0.467 . . . . 65.01 109.819 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -153.85 138.0 16.5 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.559 -0.904 . . . . 54.03 108.559 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -77.54 119.87 21.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.648 -0.871 . . . . 73.42 108.648 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.03 105.17 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.22 -1.03 . . . . 71.43 108.22 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -94.6 -53.01 4.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.769 -0.826 . . . . 72.13 108.769 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.62 154.38 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.215 -0.902 . . . . 72.01 109.129 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.574 ' HB3' HD13 ' A' ' 13' ' ' ILE . 41.4 pttt -63.55 -20.35 65.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.353 1.061 . . . . 71.23 112.362 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.637 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 53.7 mm-40 -62.37 -50.2 72.49 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.439 0.696 . . . . 61.33 110.934 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.33 -33.19 74.98 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.087 -0.961 . . . . 73.12 112.019 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 13' ' ' ILE . 46.5 t -65.5 -57.28 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.595 -0.73 . . . . 65.44 110.138 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.655 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.4 pttt -65.96 -32.14 73.45 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.343 0.402 . . . . 75.13 111.669 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.89 -53.42 58.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.567 0.747 . . . . 73.11 111.058 170.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 96' ' ' ARG . . . -61.25 -38.86 88.19 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.998 0.811 . . . . 72.54 111.383 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.517 HG11 HG13 ' A' ' 17' ' ' VAL . 55.2 t -60.42 -48.23 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.424 -0.807 . . . . 73.01 109.654 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.16 -47.75 83.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.506 -0.77 . . . . 74.01 111.514 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -61.03 -37.01 81.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.924 0.89 . . . . 55.41 111.221 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.475 ' HE1' ' HG3' ' A' ' 94' ' ' GLU . 47.3 t80 -64.3 -42.5 96.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.384 -1.28 . . . . 61.02 110.087 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -79.44 -33.57 42.35 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.542 -0.754 . . . . 74.3 112.981 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -59.33 -44.92 92.55 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.21 0.529 . . . . 74.03 110.503 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -94.23 10.9 32.17 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.889 -1.051 . . . . 73.11 111.888 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.14 19.07 71.73 Favored Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.132 0.813 . . . . 50.32 115.132 170.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.35 9.57 5.93 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-N 117.071 0.436 . . . . 44.23 113.133 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.9 m -113.92 86.1 2.34 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.266 0.626 . . . . 60.1 109.894 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.415 ' HB2' ' HD1' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -95.5 -62.69 1.25 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.11 -0.7 . . . . 73.22 109.11 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.13 108.75 12.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.747 -0.66 . . . . 64.24 110.086 -173.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -165.6 113.72 0.97 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.856 1.262 . . . . 73.24 108.261 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -77.28 -164.45 0.47 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.211 -0.663 . . . . 45.22 109.211 169.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -72.36 76.3 1.02 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.569 0.7 . . . . 73.5 109.467 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -80.27 -31.95 38.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.923 -1.035 . . . . 73.15 110.158 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -94.89 116.84 29.22 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.715 -0.846 . . . . 73.22 108.715 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 40.9 t60 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 123.654 0.782 . . . . 74.14 110.805 178.617 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.846 -0.427 . . . . 70.34 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.86 66.37 1.94 Allowed Glycine 0 C--N 1.344 0.997 0 O-C-N 123.583 0.552 . . . . 65.5 112.502 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -63.75 103.18 0.53 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.808 0.443 . . . . 72.23 110.24 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -87.36 127.91 40.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 124.685 1.241 . . . . 64.14 109.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.7 t -131.43 123.32 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 108.458 -0.941 . . . . 60.51 108.458 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HB3' HG22 ' A' ' 30' ' ' THR . 70.6 t80 -102.59 131.24 49.47 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.169 -0.678 . . . . 73.42 109.169 173.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -124.09 140.72 52.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.479 1.112 . . . . 73.32 108.468 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 m -148.02 156.04 42.19 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.996 -0.742 . . . . 74.34 108.996 164.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.72 -25.82 41.03 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.472 -0.785 . . . . 64.42 109.255 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.48 143.3 28.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.643 0.777 . . . . 73.41 111.138 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -76.3 -46.33 28.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.044 0.938 . . . . 62.31 112.258 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.19 -29.58 70.47 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.721 0.408 . . . . 62.04 111.968 -173.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.471 HG23 HG11 ' A' ' 104' ' ' VAL . 36.5 mm -62.6 -49.18 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 O-C-N 123.745 0.653 . . . . 74.22 110.086 172.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.44 -37.33 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.374 1.07 . . . . 75.21 111.832 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.0 -37.65 86.47 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.325 0.65 . . . . 73.33 110.791 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 60.2 mm-40 -67.36 -47.94 68.93 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.96 0.904 . . . . 74.41 111.779 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LYS . 76.1 t -66.88 -39.02 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.545 -0.752 . . . . 72.04 111.152 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 t -73.4 -30.59 63.35 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.294 0.638 . . . . 32.33 110.8 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.3 tppt? -66.39 -50.47 63.35 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.46 -0.571 . . . . 73.1 109.46 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -65.01 -33.19 75.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.094 0.558 . . . . 74.3 111.158 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.54 72.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.276 0.631 . . . . 74.41 111.218 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.61 -50.02 28.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.632 0.773 . . . . 70.33 110.474 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 14.3 mm-40 -59.46 -39.46 83.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.69 . . . . 63.32 111.86 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -92.48 -12.38 32.19 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.933 -0.576 . . . . 71.25 112.517 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.15 17.9 77.41 Favored Glycine 0 N--CA 1.47 0.926 0 O-C-N 123.195 0.31 . . . . 64.13 113.514 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 25.8 m-85 -69.45 114.51 7.75 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 122.799 0.44 . . . . 73.54 110.237 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.53 105.25 7.48 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.89 -0.781 . . . . 74.45 108.89 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 112' ' ' LEU . 32.3 mt -127.36 128.84 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.818 0.847 . . . . 62.41 109.355 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.58 ' HB3' HG22 ' A' ' 5' ' ' VAL . 19.0 tp60 -77.59 106.53 9.43 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.922 -1.14 . . . . 63.02 107.922 167.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 6' ' ' PHE . 24.2 p -98.96 141.2 32.03 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.31 0.644 . . . . 73.32 109.282 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.504 ' HB3' HD11 ' A' ' 37' ' ' ILE . 41.9 t -155.57 140.34 17.1 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.629 0.772 . . . . 54.21 110.289 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -83.03 -42.55 17.37 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.965 0.906 . . . . 65.41 109.702 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.89 110.3 7.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.272 -0.876 . . . . 73.42 110.771 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.52 -31.11 72.18 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.859 -1.064 . . . . 72.34 112.019 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.25 -32.31 72.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.81 0.444 . . . . 73.42 111.098 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 16.6 tp10 -60.47 -50.25 74.31 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.697 0.799 . . . . 73.24 109.469 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 31' ' ' SER . 44.9 mm -68.58 -39.84 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.235 -0.893 . . . . 74.13 112.574 -172.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.465 HG23 ' HG3' ' A' ' 65' ' ' GLN . 92.2 mt -58.49 -39.34 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.592 0.757 . . . . 75.45 109.683 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 13.3 t70 -68.67 -36.91 79.16 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.734 -1.121 . . . . 73.23 110.997 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 39.7 mtp85 -70.39 -31.79 69.18 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.997 0.519 . . . . 63.13 110.916 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.79 -33.08 73.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.778 0.831 . . . . 64.2 110.606 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 39' ' ' ASP . 67.1 mttm -63.63 -39.13 93.59 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.216 0.606 . . . . 63.14 110.752 171.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 24.7 mtt180 -76.48 -18.14 58.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.127 0.571 . . . . 70.1 110.301 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 69.55 22.91 6.12 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.613 1.565 . . . . 73.43 111.26 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.422 ' OD1' ' HD2' ' A' ' 43' ' ' ARG . 12.2 m120 -64.21 -24.74 67.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.996 0.918 . . . . 62.21 111.988 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.456 HG21 ' HB ' ' A' ' 49' ' ' ILE . 25.9 mt -96.36 133.43 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.706 0.803 . . . . 73.33 110.01 -171.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.32 -45.43 6.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.468 0.651 . . . . 63.43 109.9 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -138.87 132.74 30.96 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.075 -0.966 . . . . 73.42 109.088 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.2 tt -139.02 142.66 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.48 0.712 . . . . 75.22 109.44 -172.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.523 HD12 HG13 ' A' ' 108' ' ' VAL . 63.8 mt -129.18 122.11 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.97 -1.122 . . . . 73.43 107.97 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 62' ' ' ILE . 58.4 t -118.24 120.95 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.622 0.769 . . . . 61.33 109.657 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -110.15 107.07 16.75 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.09 -0.708 . . . . 71.52 109.09 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.45 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.1 t -164.84 156.84 15.73 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.344 1.058 . . . . 72.31 108.352 170.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.7 mp0 -93.45 -16.11 24.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.688 0.795 . . . . 71.32 109.992 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.23 96.82 0.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.316 0.646 . . . . 61.21 109.299 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -56.05 -31.61 63.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.318 1.047 . . . . 63.44 112.919 -175.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -73.12 -37.37 66.69 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.417 0.687 . . . . 64.11 111.236 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.2 p -74.04 -43.75 56.73 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.837 0.455 . . . . 53.53 110.138 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 53' ' ' THR . 88.4 mt -51.75 -47.49 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.193 0.933 . . . . 72.4 109.875 173.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -52.23 -52.91 49.61 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.284 -1.325 . . . . 70.14 112.087 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.3 -49.62 76.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.432 0.693 . . . . 63.44 111.456 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -58.31 -50.71 77.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.67 0.606 . . . . 71.3 110.417 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 75' ' ' ILE . 69.0 mt -59.13 -41.01 82.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 O-C-N 123.446 0.466 . . . . 64.04 110.879 -178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -57.81 -41.02 81.3 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.095 0.558 . . . . 71.35 110.934 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 38' ' ' ILE . 13.3 mm100 -69.65 -33.57 72.78 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 123.652 0.595 . . . . 75.25 111.32 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 71' ' ' ALA . 90.6 t -76.99 -28.57 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 C-N-CA 123.657 0.783 . . . . 73.13 111.127 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -68.46 -43.33 77.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.202 -1.036 . . . . 64.1 108.202 173.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.29 -41.94 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.149 -1.387 . . . . 75.13 111.461 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -88.51 -16.52 32.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 44.51 112.456 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.37 42.21 83.1 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.265 0.353 . . . . 74.1 113.558 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -103.88 174.97 5.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.697 0.799 . . . . 74.14 111.985 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 135.79 33.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.912 0.885 . . . . 71.15 108.654 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG23 ' A' ' 93' ' ' VAL . 7.1 p -144.09 139.38 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 122.646 0.379 . . . . 63.22 111.365 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.3 tp -118.59 116.6 26.95 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 108.188 -1.042 . . . . 73.02 108.188 173.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 46.2 mm -97.25 122.88 49.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.228 -0.656 . . . . 73.1 109.228 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.79 129.64 56.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.345 1.058 . . . . 65.34 108.4 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.6 m -143.07 139.54 30.54 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.099 -1.075 . . . . 64.14 108.099 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 p -64.39 -26.93 68.68 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 122.971 0.508 . . . . 64.0 110.919 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -95.94 121.34 37.58 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.029 -0.987 . . . . 55.41 110.017 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 13.4 pt-20 -83.4 -13.79 54.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.75 0.82 . . . . 71.42 112.564 -174.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.23 -30.16 48.6 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.036 -0.727 . . . . 71.54 109.036 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.568 HG23 ' HG2' ' A' ' 56' ' ' LYS . 66.2 mt -67.38 -49.33 72.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 115.042 -0.981 . . . . 75.54 109.014 168.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 27.2 mm -53.35 -41.89 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 123.477 0.485 . . . . 64.53 111.351 173.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.72 -45.97 90.25 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.153 0.981 . . . . 71.54 110.309 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -61.02 -38.62 86.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.032 0.933 . . . . 74.21 111.569 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.0 mm -69.39 -34.11 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.467 0.707 . . . . 71.2 111.146 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 18.2 mtm180 -75.98 -30.28 58.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.565 0.346 . . . . 53.24 111.802 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -88.47 -32.46 18.24 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 111.956 0.354 . . . . 75.32 111.956 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -77.07 -42.55 37.85 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.923 0.489 . . . . 70.21 110.076 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-85 -119.7 95.88 49.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 107.658 -1.238 . . . . 71.24 107.658 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.19 -26.68 35.93 Favored 'Trans proline' 0 C--N 1.363 1.296 0 C-N-CA 122.048 1.832 . . . . 74.22 113.445 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.01 7.86 44.75 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.659 0.985 . . . . 74.24 113.659 -170.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 73' ' ' VAL . 9.7 p -90.88 132.22 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 118.227 0.467 . . . . 72.43 110.444 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.35 131.65 41.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 80.7 p -136.47 161.82 34.78 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.301 0.64 . . . . 64.24 110.054 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -159.31 139.4 11.96 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.173 -1.047 . . . . 72.42 108.173 169.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 48.1 ttp180 -67.69 123.22 19.88 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.468 -0.938 . . . . 74.24 108.468 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.36 102.39 6.16 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 107.885 -1.154 . . . . 64.02 107.885 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.33 -63.64 1.37 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.309 0.644 . . . . 72.41 109.553 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.3 m-20 -77.72 156.77 30.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.381 -1.281 . . . . 73.43 109.979 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.59 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.3 pttp -60.43 -26.84 67.03 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.832 0.853 . . . . 72.12 110.135 169.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 21.5 mm-40 -62.85 -51.93 65.11 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.527 1.131 . . . . 72.32 110.454 172.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HG2' ' HB2' ' A' ' 100' ' ' ASP . 18.7 mm-40 -54.48 -40.41 68.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.743 0.817 . . . . 54.43 111.4 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG11 HG23 ' A' ' 13' ' ' ILE . 48.5 t -67.49 -58.13 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 123.816 0.698 . . . . 71.43 111.448 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 56.5 pttt -65.06 -34.45 78.46 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.447 0.467 . . . . 72.23 111.832 -171.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.48 -31.52 63.8 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.387 0.675 . . . . 75.45 112.293 174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.485 0.314 . . . . 65.32 111.008 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 98.4 t -67.06 -56.96 11.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 108.897 -0.779 . . . . 55.32 108.897 174.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 41.5 tt0 -49.49 -44.02 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.099 1.36 . . . . 65.34 111.688 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 33.4 tt0 -68.04 -47.56 68.05 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.065 0.853 . . . . 74.51 111.234 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -58.24 -27.23 63.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.957 0.903 . . . . 74.34 110.605 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 61.2 mt -80.79 -43.45 20.09 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.936 0.894 . . . . 71.32 111.566 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.472 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.9 mttm -59.96 -43.76 94.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.808 0.443 . . . . 71.33 110.54 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 9.0 mm-40 -77.97 -20.23 53.06 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.291 -0.868 . . . . 73.44 110.61 -178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.44 -44.37 2.77 Favored Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.792 -0.523 . . . . 35.15 111.792 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.44 145.73 12.69 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.233 -1.547 . . . . 71.32 109.233 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.61 ' HB2' ' HA ' ' A' ' 121' ' ' HIS . 67.4 m 62.08 175.7 0.13 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.339 1.237 . . . . 73.21 114.339 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.88 -52.84 1.88 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.842 0.857 . . . . 71.41 110.263 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.98 -66.82 0.59 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.026 0.441 . . . . 71.13 110.042 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -126.96 127.81 45.42 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.023 -1.103 . . . . 73.24 108.023 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.61 ' HA ' ' HB2' ' A' ' 117' ' ' SER . 28.4 m-70 -79.29 129.97 34.99 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.226 1.01 . . . . 63.32 112.889 -156.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 7.7 t-160 -79.76 74.67 6.46 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.472 1.109 . . . . 74.31 108.995 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -94.0 53.6 1.8 Allowed 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.221 1.01 . . . . 75.33 109.65 177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -149.87 122.94 8.84 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.113 -1.403 . . . . 75.44 108.519 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.2 p80 . . . . . 0 C--O 1.248 0.984 0 C-N-CA 123.776 0.83 . . . . 74.51 109.071 -179.72 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.073 -0.714 . . . . 75.5 109.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.83 87.13 1.41 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 115.78 -0.646 . . . . 61.2 112.886 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -155.71 97.8 1.87 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.134 0.492 . . . . 63.51 110.513 165.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -94.11 135.08 29.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.545 -1.207 . . . . 72.1 107.907 166.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 29' ' ' GLN . 70.3 t -129.15 119.79 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.652 -0.87 . . . . 64.31 108.652 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' HB3' HG22 ' A' ' 30' ' ' THR . 84.9 t80 -98.74 118.32 35.2 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.468 -0.568 . . . . 75.32 109.468 173.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.9 tp -103.67 141.33 36.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 123.818 0.847 . . . . 72.23 108.776 170.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -150.85 146.78 26.56 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.047 -0.723 . . . . 74.5 109.047 167.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -86.76 -17.04 34.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.583 -0.735 . . . . 71.55 109.649 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.2 129.9 48.71 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 70.25 109.636 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.9 tp-100 -67.62 -42.33 82.51 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 75.42 113.356 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.13 -45.6 87.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.459 0.304 . . . . 52.11 110.471 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 101' ' ' LYS . 17.8 mm -51.53 -49.76 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 O-C-N 124.112 0.882 . . . . 63.31 111.619 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 30' ' ' THR . 86.6 mt -54.78 -48.61 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.16 0.984 . . . . 74.21 110.659 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 -33.94 76.73 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.018 0.824 . . . . 70.53 111.645 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 56.1 mm-40 -64.43 -49.46 71.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.006 0.523 . . . . 65.51 111.55 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG11 ' A' ' 108' ' ' VAL . 97.4 t -71.58 -37.62 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.683 -0.689 . . . . 73.12 111.281 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 30' ' ' THR . 30.2 t -69.22 -39.12 78.76 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.134 0.574 . . . . 50.11 111.012 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 16.4 tppt? -66.2 -44.26 84.44 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.57 0.544 . . . . 75.51 110.158 176.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.17 -36.2 83.47 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.542 0.737 . . . . 61.52 111.145 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.54 -31.85 72.23 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.67 -0.696 . . . . 74.11 110.884 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.08 -40.14 71.75 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.613 0.571 . . . . 63.42 110.253 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 46.0 mt-10 -57.45 -48.5 79.0 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.172 0.589 . . . . 75.43 110.411 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -85.03 -16.57 40.28 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.402 -0.817 . . . . 64.43 112.81 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 21.89 76.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.549 0.531 . . . . 61.13 113.068 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -72.72 120.68 18.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.258 0.623 . . . . 72.1 110.445 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.09 93.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 109.09 -0.707 . . . . 74.43 109.09 170.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ALA . 30.4 mt -123.69 122.73 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.544 0.738 . . . . 63.1 109.503 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB3' HG22 ' A' ' 5' ' ' VAL . 7.6 tp-100 -82.62 113.13 20.1 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.78 -0.822 . . . . 74.42 108.78 171.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 14' ' ' ILE . 41.6 p -105.72 134.5 48.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 122.956 0.502 . . . . 72.25 110.001 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.488 ' HB3' HD11 ' A' ' 37' ' ' ILE . 47.1 t -151.57 161.07 43.31 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.397 0.679 . . . . 50.22 110.335 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.99 -32.53 9.19 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.353 1.061 . . . . 63.2 109.262 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.3 104.61 10.04 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 115.61 -0.723 . . . . 74.33 109.96 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -64.76 -28.16 69.39 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.04 -0.982 . . . . 73.0 111.557 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.86 -37.47 79.12 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.797 0.839 . . . . 63.31 110.9 -173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 22.3 tt0 -62.51 -48.15 80.82 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.568 -0.742 . . . . 64.33 109.589 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 31' ' ' SER . 51.5 mm -64.14 -36.46 77.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.005 -0.998 . . . . 72.51 111.216 -173.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -58.97 -44.65 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.846 0.858 . . . . 64.31 110.288 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 24.1 t70 -65.52 -33.68 76.49 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.232 -0.895 . . . . 72.15 110.81 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.1 mtp180 -74.4 -28.63 61.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.359 0.664 . . . . 71.14 110.926 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.7 mt -68.78 -34.83 76.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.516 0.726 . . . . 64.42 110.405 170.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 27.4 mtpp -66.81 -33.13 74.93 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.88 0.872 . . . . 64.51 111.686 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.6 mtt180 -71.06 -15.93 62.56 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.111 0.564 . . . . 74.1 111.033 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.15 22.37 11.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.893 1.277 . . . . 55.12 110.626 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.63 -22.34 47.08 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.555 0.742 . . . . 45.25 110.954 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.3 mt -97.54 125.76 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 123.558 0.743 . . . . 75.52 109.492 -176.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -89.98 -41.59 11.65 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.147 0.499 . . . . 74.14 110.494 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 ptm -145.33 138.85 26.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.51 -0.768 . . . . 74.12 108.996 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.449 ' HB ' HG21 ' A' ' 46' ' ' ILE . 8.7 tt -138.49 147.34 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.681 0.792 . . . . 75.01 109.649 -171.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 74' ' ' LEU . 59.9 mt -132.86 119.8 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.351 -0.981 . . . . 73.4 108.351 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG21 HG21 ' A' ' 62' ' ' ILE . 59.2 t -115.28 123.58 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.62 0.768 . . . . 75.33 109.986 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.1 tptp -113.57 110.87 20.94 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.92 0.888 . . . . 74.54 109.396 173.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 59' ' ' ILE . 4.8 t -163.3 152.08 14.28 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.114 0.565 . . . . 72.05 110.492 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.6 0.38 57.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.565 1.146 . . . . 71.45 110.446 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -92.22 108.47 19.97 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.188 -0.671 . . . . 63.51 109.188 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -52.33 -38.29 58.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.138 1.375 . . . . 72.12 113.062 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.71 -38.57 64.78 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.539 0.525 . . . . 74.21 110.578 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' ILE . 48.4 m -66.87 -42.27 85.91 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.325 0.65 . . . . 75.45 110.08 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 75' ' ' ILE . 75.9 mt -59.62 -53.03 54.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.281 -0.872 . . . . 73.51 109.903 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 t -55.47 -51.74 65.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.319 1.048 . . . . 71.52 112.127 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 38.4 mm-40 -56.46 -48.91 76.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.544 0.738 . . . . 71.1 111.749 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.27 -50.01 79.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 123.791 0.682 . . . . 65.1 110.442 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HG13 ' A' ' 75' ' ' ILE . 65.7 mt -58.42 -43.36 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 123.158 0.286 . . . . 74.43 110.717 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.25 -43.7 83.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.562 0.745 . . . . 61.42 110.759 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.7 mm100 -60.24 -50.52 73.33 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.292 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 71' ' ' ALA . 95.9 t -66.01 -39.63 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.299 1.04 . . . . 74.44 112.246 -171.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 87.2 mt -67.68 -37.41 82.31 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.094 0.473 . . . . 64.21 110.532 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.74 -35.99 60.03 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.504 -0.771 . . . . 71.03 110.469 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -80.62 -16.18 54.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.778 0.831 . . . . 73.32 111.628 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.26 59.62 6.67 Favored Glycine 0 C--N 1.349 1.289 0 O-C-N 123.166 0.291 . . . . 72.34 112.769 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.561 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -127.32 172.65 10.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.461 0.705 . . . . 75.05 109.519 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HG2' ' HA2' ' A' ' 116' ' ' GLY . 3.4 mppt? -91.92 142.86 27.09 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 109.342 -0.614 . . . . 74.32 109.342 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.76 132.47 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.225 0.61 . . . . 74.13 110.462 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.532 ' HB3' HG12 ' A' ' 50' ' ' ILE . 43.7 tp -115.08 124.58 51.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.219 1.008 . . . . 73.4 108.341 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 63' ' ' ILE . 37.6 mm -106.46 123.88 61.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 123.712 0.805 . . . . 73.31 109.278 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 78.9 mt -121.16 133.01 55.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.69 1.196 . . . . 60.12 107.972 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -156.14 143.06 18.89 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.835 -0.802 . . . . 63.33 108.835 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.5 p -64.17 -29.51 70.62 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.76 0.824 . . . . 54.31 110.98 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -92.12 109.74 21.1 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.168 -0.924 . . . . 74.24 109.2 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.26 -12.53 59.96 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 71.41 112.218 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -72.49 -38.52 68.14 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 108.683 -0.858 . . . . 60.15 108.683 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.0 mt -66.83 -47.41 82.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.983 -0.747 . . . . 74.44 108.983 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 30.1 mm -52.25 -45.42 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 124.054 0.846 . . . . 75.05 110.659 175.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.62 -37.72 79.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.826 0.45 . . . . 71.43 111.732 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -60.75 -38.25 84.56 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.296 0.569 . . . . 62.32 110.166 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.38 -33.61 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.881 -1.054 . . . . 74.14 111.091 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 71.6 mtp85 -68.27 -49.1 62.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.644 0.378 . . . . 74.44 111.492 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -73.71 -33.19 64.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.877 -0.601 . . . . 71.1 111.808 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -80.4 -37.85 31.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.559 0.344 . . . . 60.21 111.272 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.26 101.77 31.11 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.279 0.632 . . . . 74.25 109.349 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 -39.99 5.33 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.299 1.999 . . . . 64.51 114.013 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -75.51 -15.14 60.43 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.608 0.966 . . . . 63.22 113.608 -168.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.736 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -76.15 141.38 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 122.461 0.305 . . . . 63.44 110.554 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -83.23 136.3 34.45 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.825 -0.806 . . . . 63.15 108.825 169.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 10.0 p -139.72 147.46 40.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.831 0.452 . . . . 72.14 110.772 -173.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.751 HH11 ' HB2' ' A' ' 107' ' ' ALA . 55.9 ttt180 -160.91 139.3 9.86 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.621 0.768 . . . . 72.32 108.989 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -69.55 131.69 45.07 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.936 -0.764 . . . . 75.21 108.936 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.15 104.55 4.3 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.655 -1.239 . . . . 35.21 107.655 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -86.78 -52.25 5.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.898 0.479 . . . . 55.24 110.376 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -92.44 152.1 19.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.498 -0.774 . . . . 75.34 109.802 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 13' ' ' ILE . 39.3 pttt -60.97 -20.07 61.89 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.587 1.155 . . . . 64.02 112.27 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -54.64 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 72.3 110.598 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.84 -34.19 72.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.019 0.928 . . . . 70.34 111.595 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.561 HG21 HD12 ' A' ' 13' ' ' ILE . 48.2 t -68.09 -60.21 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 O-C-N 123.712 0.632 . . . . 75.22 110.544 -177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.9 pttt -64.47 -31.4 72.6 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.487 0.492 . . . . 72.24 111.209 -174.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.87 -58.02 8.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.842 1.257 . . . . 73.31 111.277 168.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.751 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -63.31 -32.27 73.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.527 0.731 . . . . 44.41 111.399 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.506 ' HA ' HD13 ' A' ' 50' ' ' ILE . 60.2 t -58.65 -53.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 O-C-N 124.103 0.877 . . . . 75.32 109.549 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 78.3 tt0 -58.74 -43.66 90.29 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.867 0.729 . . . . 75.41 111.006 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -61.96 -38.73 89.61 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.6 0.76 . . . . 72.45 111.835 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.61 -32.58 73.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.977 0.911 . . . . 74.42 110.254 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 82.5 mt -82.64 -27.21 31.52 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.031 -0.986 . . . . 74.43 112.462 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mttm -62.16 -44.73 95.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.877 0.471 . . . . 61.04 110.613 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -86.45 -21.43 27.07 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.842 -0.617 . . . . 75.41 110.521 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.42 34.73 90.7 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.903 0.752 . . . . 54.51 113.383 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.546 ' HA2' ' HG2' ' A' ' 72' ' ' LYS . . . -171.42 -46.02 0.04 OUTLIER Glycine 0 C--N 1.341 0.851 0 N-CA-C 112.406 -0.278 . . . . 15.31 112.406 -175.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -145.23 173.28 12.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.825 0.345 . . . . 71.42 111.098 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.18 159.18 27.49 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.225 -0.898 . . . . 65.42 109.856 172.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.79 127.16 31.43 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.919 0.888 . . . . 64.33 111.164 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -80.11 57.34 2.66 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 122.194 0.997 . . . . 74.21 110.05 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -149.87 -50.37 0.14 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.399 1.079 . . . . 72.03 108.38 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -92.17 14.8 15.08 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.745 -0.662 . . . . 74.31 111.232 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -64.49 -20.37 66.15 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 122.096 -0.377 . . . . 71.24 112.014 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -56.11 123.98 16.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.285 0.634 . . . . 70.21 110.331 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.252 1.227 0 O-C-N 123.914 0.759 . . . . 75.32 110.238 176.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.307 0.098 . . . . 54.33 111.05 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.595 ' HA3' ' HB2' ' A' ' 47' ' ' ASP . . . 77.07 -110.39 3.01 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-O 119.599 -0.556 . . . . 73.41 111.983 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -162.16 133.55 5.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.152 0.581 . . . . 74.44 110.764 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.93 122.42 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.436 1.095 . . . . 63.32 108.347 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 HD12 ' A' ' 37' ' ' ILE . 58.2 t -128.62 138.11 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.686 0.794 . . . . 73.21 110.235 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.505 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.6 t80 -114.31 144.6 42.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.597 0.759 . . . . 75.23 108.993 170.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -136.64 140.51 42.84 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.783 1.233 . . . . 61.42 108.893 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -157.43 160.64 38.56 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.563 0.745 . . . . 54.13 109.613 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.43 -44.43 74.97 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.523 -0.917 . . . . 75.43 108.523 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.88 144.17 27.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 113.592 -1.64 . . . . 61.24 112.174 -163.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.28 -48.0 58.73 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.352 1.061 . . . . 73.33 112.146 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.73 -33.59 70.41 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.284 0.633 . . . . 73.24 111.381 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.7 mm -61.93 -52.86 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.163 -0.926 . . . . 65.03 109.351 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 30' ' ' THR . 37.2 mt -59.43 -37.01 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.987 1.315 . . . . 74.01 111.732 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.79 -42.47 85.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.215 0.606 . . . . 62.5 110.488 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 60.3 mm-40 -66.37 -43.65 85.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.87 0.868 . . . . 71.0 111.769 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 HG11 ' A' ' 108' ' ' VAL . 39.5 t -63.54 -49.93 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.092 -0.958 . . . . 61.25 111.267 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -70.61 -26.36 63.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.932 0.893 . . . . 34.52 110.939 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -67.56 -53.22 30.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.51 0.724 . . . . 74.31 110.129 174.52 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -66.62 -38.38 86.83 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.997 0.427 . . . . 71.43 109.889 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.42 97.03 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.02 -0.991 . . . . 73.33 111.159 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.37 -48.77 79.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.706 0.802 . . . . 75.51 110.713 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 13.5 mm-40 -61.76 -41.12 97.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.628 0.771 . . . . 72.22 112.337 -177.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -90.63 -8.04 51.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.179 0.437 . . . . 73.12 112.179 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.86 6.4 72.47 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.803 -0.443 . . . . 55.43 113.938 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 29.7 m-85 -71.08 121.41 18.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.301 0.64 . . . . 65.33 110.162 175.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.67 119.41 30.88 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.279 0.631 . . . . 73.4 109.357 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 112' ' ' LEU . 29.8 mt -129.6 140.02 50.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 C-N-CA 123.955 0.902 . . . . 72.32 108.989 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 5' ' ' VAL . 61.1 tp60 -92.53 108.93 20.34 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.231 -1.026 . . . . 71.23 108.231 170.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 6' ' ' PHE . 59.7 p -98.13 140.17 32.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.45 0.7 . . . . 73.12 109.893 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -152.1 152.06 31.87 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.299 0.64 . . . . 74.14 110.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -101.79 -24.47 14.05 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.955 0.902 . . . . 73.33 109.828 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -84.76 101.01 11.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.514 -0.55 . . . . 75.11 109.514 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -65.89 -28.71 69.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.452 1.101 . . . . 61.44 112.834 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -69.12 -36.85 77.95 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.276 0.631 . . . . 62.11 110.988 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.51 -42.92 99.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.748 1.219 . . . . 72.12 110.114 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.438 HD12 HG11 ' A' ' 5' ' ' VAL . 42.4 mm -68.45 -41.34 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 114.886 -1.052 . . . . 52.22 111.108 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.64 HG23 ' HG3' ' A' ' 65' ' ' GLN . 80.6 mt -59.06 -39.44 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.305 1.042 . . . . 65.52 109.854 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 37.0 t70 -63.39 -41.92 98.78 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.138 0.899 . . . . 73.25 110.632 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -69.18 -33.19 72.99 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.21 0.604 . . . . 64.53 111.253 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.78 -29.55 64.59 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.613 0.765 . . . . 74.24 110.411 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -72.77 -26.44 61.54 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.854 0.862 . . . . 72.4 110.817 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 64.9 mtt-85 -85.17 -12.65 52.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.31 0.644 . . . . 73.03 111.645 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 62.91 30.14 16.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.134 0.974 . . . . 65.42 111.081 -175.358 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -88.26 -2.79 58.81 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.38 0.672 . . . . 61.04 112.809 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.33 125.91 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 122.83 0.452 . . . . 73.13 109.995 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.595 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 24.2 t70 -81.48 -52.27 7.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.068 0.947 . . . . 73.15 110.414 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 ptm -139.38 139.25 37.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.328 -0.851 . . . . 73.41 109.185 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.1 tt -141.2 145.06 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.468 0.707 . . . . 63.11 109.685 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 108' ' ' VAL . 62.0 mt -129.78 128.01 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.454 -1.313 . . . . 72.01 107.454 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 62' ' ' ILE . 40.4 t -127.19 115.84 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.283 0.633 . . . . 51.31 110.192 -175.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 27.0 tptp -97.02 105.68 17.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.645 -0.872 . . . . 62.12 108.645 170.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 51' ' ' VAL . 9.0 t -160.49 144.81 14.14 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.454 -0.943 . . . . 74.22 108.454 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -99.06 -10.36 22.69 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.856 0.462 . . . . 65.0 109.897 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.98 101.94 2.3 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.691 0.796 . . . . 72.11 109.249 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -54.54 -35.4 63.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.074 1.35 . . . . 60.11 113.065 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 48.0 mm-40 -61.94 -49.0 77.87 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.471 -0.566 . . . . 60.11 109.471 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 m -65.56 -43.98 88.14 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.443 0.697 . . . . 60.23 111.248 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.53 -56.69 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.888 0.875 . . . . 71.41 110.242 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -59.43 -42.89 92.94 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.365 1.041 . . . . 62.42 111.008 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 32.7 mm-40 -51.63 -58.76 5.45 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.23 0.956 . . . . 73.03 111.024 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.596 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -57.35 -48.77 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.308 1.005 . . . . 75.4 110.493 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.0 mt -56.79 -49.05 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 123.819 0.699 . . . . 75.14 110.899 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -55.18 -41.67 72.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.143 0.977 . . . . 73.32 110.62 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HG3' HG23 ' A' ' 38' ' ' ILE . 30.2 mm-40 -74.21 -28.94 61.5 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.348 -0.842 . . . . 73.22 112.044 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 71' ' ' ALA . 62.0 t -75.18 -35.23 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.859 0.864 . . . . 71.41 110.347 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 80.1 mt -66.68 -43.18 85.13 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.738 -0.838 . . . . 74.44 108.738 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.08 -36.08 82.84 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.936 -1.029 . . . . 34.34 110.852 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 22.5 t -76.6 -25.0 53.44 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.832 -0.622 . . . . 72.0 111.588 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 51.88 48.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.399 -0.68 . . . . 72.11 111.399 -170.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.59 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -118.08 173.39 6.81 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.052 0.941 . . . . 72.44 110.792 -174.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HG2' ' HA3' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -91.57 141.55 28.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.927 0.891 . . . . 74.42 108.6 173.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 93' ' ' VAL . 6.8 p -143.31 137.0 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.999 0.52 . . . . 71.12 111.23 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 118' ' ' LEU . 34.2 tp -117.46 115.68 25.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.363 1.065 . . . . 72.35 108.473 171.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 95' ' ' THR . 37.4 mm -97.2 121.86 48.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 123.654 0.781 . . . . 75.02 109.506 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.3 mt -116.33 119.8 36.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.789 1.236 . . . . 61.3 107.951 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -136.44 143.23 43.78 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.679 -1.23 . . . . 64.54 107.679 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -66.42 -33.74 76.38 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.558 0.536 . . . . 73.02 111.378 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -89.55 127.64 35.91 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.628 0.771 . . . . 63.04 111.325 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.62 -32.5 73.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.808 1.243 . . . . 73.51 112.731 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -76.26 -30.34 57.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.318 0.647 . . . . 71.13 110.167 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.6 mt -71.56 -46.88 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 109.376 -0.601 . . . . 73.11 109.376 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.742 HG22 ' HE ' ' A' ' 87' ' ' ARG . 24.9 mm -55.18 -36.68 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.1 0.56 . . . . 62.21 110.577 171.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.56 -45.74 85.79 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.657 1.183 . . . . 71.23 111.902 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 m -64.74 -38.0 89.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.966 0.506 . . . . 63.11 110.791 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 82' ' ' ILE . 40.7 mm -68.52 -34.49 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.521 -0.763 . . . . 62.2 110.618 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HE ' HG22 ' A' ' 83' ' ' ILE . 35.2 mtm180 -69.17 -42.33 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.547 0.739 . . . . 74.04 112.446 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.63 -29.51 36.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.437 0.295 . . . . 55.34 111.69 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.47 -40.5 17.64 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.92 0.39 . . . . 63.21 110.574 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -119.55 101.16 48.96 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 108.789 -0.819 . . . . 74.11 108.789 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.92 -34.53 10.57 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.026 1.817 . . . . 72.3 113.168 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -84.38 -10.51 57.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.414 0.894 . . . . 75.2 113.414 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.719 HG23 HG13 ' A' ' 73' ' ' VAL . 7.5 p -74.96 129.94 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.767 0.427 . . . . 72.42 110.353 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 9.1 mm-40 -68.29 115.58 7.9 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.315 -0.994 . . . . 74.5 108.315 167.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.54 ' HB ' HG23 ' A' ' 83' ' ' ILE . 12.5 p -124.35 146.8 48.61 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.546 0.739 . . . . 73.41 109.811 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -158.29 129.52 6.5 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.104 -0.953 . . . . 72.25 108.685 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' NH1' ' HG3' ' A' ' 99' ' ' GLN . 2.0 ttp85 -67.42 128.88 38.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.978 -0.749 . . . . 75.0 108.978 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.62 114.72 6.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.011 -1.107 . . . . 72.44 108.011 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.484 ' HG3' ' NH1' ' A' ' 97' ' ' ARG . 30.1 mt-30 -97.43 -56.27 2.58 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.272 0.358 . . . . 72.41 110.154 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.7 152.44 21.34 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.601 -0.518 . . . . 71.4 109.601 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HB3' HD13 ' A' ' 13' ' ' ILE . 54.3 pttt -61.28 -21.14 63.66 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.359 1.064 . . . . 64.12 112.75 -177.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 28.9 mm-40 -64.47 -50.65 66.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.285 0.634 . . . . 74.4 110.59 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.78 -29.86 70.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.543 -1.208 . . . . 75.0 111.327 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.514 HG11 HG23 ' A' ' 13' ' ' ILE . 61.9 t -69.81 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 123.374 0.67 . . . . 73.14 110.67 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.5 pttt -62.13 -33.54 74.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.503 0.502 . . . . 71.1 111.164 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.79 -51.08 71.26 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.786 0.834 . . . . 74.55 111.002 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.72 83.83 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.114 0.884 . . . . 65.03 111.256 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.703 HG11 HG13 ' A' ' 17' ' ' VAL . 75.7 t -61.92 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 73.11 109.751 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.405 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 30.0 tt0 -49.85 -41.98 46.4 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.599 1.16 . . . . 72.25 111.357 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.1 -47.8 83.94 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.554 1.542 . . . . 72.1 110.874 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -68.2 -33.14 73.88 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.796 1.238 . . . . 63.32 111.031 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 77.2 mt -71.03 -34.39 71.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.296 1.038 . . . . 64.31 111.861 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -55.93 -36.86 68.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.563 0.745 . . . . 72.13 112.928 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -98.68 -14.22 19.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.099 0.56 . . . . 74.44 111.236 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.33 77.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.472 0.483 . . . . 54.02 112.87 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' A' ' 72' ' ' LYS . . . 170.56 16.68 0.02 OUTLIER Glycine 0 C--N 1.348 1.229 0 N-CA-C 115.334 0.894 . . . . 63.13 115.334 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -166.79 151.39 7.39 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 117.886 0.843 . . . . 75.51 110.655 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.467 HD11 HD13 ' A' ' 74' ' ' LEU . 4.9 mp -98.98 173.12 6.99 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.422 1.089 . . . . 75.24 109.482 173.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.51 80.02 1.06 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 122.974 1.369 . . . . 73.54 108.005 160.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -145.48 3.28 0.99 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.574 -2.103 . . . . 71.51 108.731 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -64.14 89.11 0.06 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.752 1.221 . . . . 72.13 111.428 -169.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -147.77 170.86 16.67 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.401 1.08 . . . . 64.04 108.927 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -73.7 79.41 1.53 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.247 -1.39 . . . . 55.43 107.247 162.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -65.85 110.19 2.76 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.123 -1.398 . . . . 73.55 110.607 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 32.5 m80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 108.386 -0.968 . . . . 73.03 108.386 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.116 -0.698 . . . . 72.23 109.116 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.69 68.33 0.12 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 110.277 -1.129 . . . . 65.05 110.277 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -73.28 91.94 1.74 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.019 0.527 . . . . 74.15 109.905 177.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 48' ' ' MET . 15.4 t -90.45 116.84 32.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.057 -0.974 . . . . 72.53 108.784 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -121.56 113.07 37.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -88.08 135.5 33.39 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.421 -0.585 . . . . 74.43 109.421 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD13 HG13 ' A' ' 37' ' ' ILE . 43.7 tp -122.47 136.33 54.87 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.218 1.407 . . . . 74.11 108.132 174.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.8 t -155.49 144.3 20.57 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.934 -0.765 . . . . 72.43 108.934 167.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 -14.83 57.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.114 0.566 . . . . 62.04 110.724 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.06 142.69 37.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.6 0.76 . . . . 74.55 110.95 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.68 -52.0 35.77 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.589 1.156 . . . . 64.2 112.771 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.29 -34.16 68.39 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.636 0.774 . . . . 64.45 111.509 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 104' ' ' VAL . 43.3 mm -63.18 -51.99 64.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 115.175 -0.921 . . . . 52.02 109.763 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -41.16 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.444 1.098 . . . . 75.11 111.024 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.76 -38.54 86.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.654 0.782 . . . . 63.33 112.116 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 63.1 mm-40 -73.65 -38.02 65.12 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.353 0.661 . . . . 74.41 112.044 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.31 -36.94 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.203 0.601 . . . . 74.13 110.58 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -68.42 -35.83 78.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.682 0.793 . . . . 61.44 110.383 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -68.09 -49.49 60.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.259 0.623 . . . . 64.45 109.773 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -38.45 76.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.944 0.898 . . . . 62.24 111.211 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -57.55 12.5 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.115 -0.948 . . . . 63.3 109.971 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.12 -42.81 81.58 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 124.228 0.955 . . . . 74.4 111.771 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -58.01 -49.53 76.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 73.31 111.669 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 38.0 mm-40 -80.97 -7.39 59.52 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.075 0.398 . . . . 74.0 112.075 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.25 43.96 7.76 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 122.808 0.242 . . . . 75.23 113.062 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.47 129.51 56.53 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.099 0.96 . . . . 64.43 109.572 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.15 74.61 1.78 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.665 -0.865 . . . . 74.41 108.665 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.42 134.45 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.33 -0.85 . . . . 65.31 109.81 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.559 ' HG2' HH22 ' A' ' 40' ' ' ARG . 20.8 tp60 -79.1 109.78 13.74 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 108.666 -0.864 . . . . 72.03 108.666 170.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.6 p -96.8 144.02 27.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.518 . . . . 75.24 109.918 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -148.3 149.38 31.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.054 0.941 . . . . 73.04 109.644 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' SER . 25.5 t-20 -103.41 -34.08 8.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.903 0.881 . . . . 72.15 110.75 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -83.97 112.72 20.43 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.187 0.595 . . . . 51.43 111.176 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 10.4 ptpp? -68.51 -34.32 75.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.146 0.979 . . . . 74.42 112.176 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.09 -38.21 90.0 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.381 0.672 . . . . 75.25 111.374 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.9 tt0 -59.19 -47.63 84.6 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.413 -0.812 . . . . 62.44 109.404 174.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.555 HD13 ' HD3' ' A' ' 40' ' ' ARG . 37.0 mm -64.75 -41.6 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 114.838 -1.074 . . . . 73.43 111.987 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 88.0 mt -55.37 -39.75 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.507 0.723 . . . . 55.31 109.994 175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.31 -32.91 63.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.524 -1.216 . . . . 52.22 111.692 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.559 HH22 ' HG2' ' A' ' 29' ' ' GLN . 47.5 mtp180 -73.11 -30.74 63.85 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.089 0.555 . . . . 74.34 110.396 177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -72.17 -31.26 65.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.223 -0.898 . . . . 75.14 110.575 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 93.2 mttt -59.12 -32.63 70.01 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 120.956 0.408 . . . . 35.4 111.066 171.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -84.16 -6.01 59.34 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.01 -0.995 . . . . 63.12 111.692 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 60.91 27.04 16.91 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.76 1.224 . . . . 72.32 110.514 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -79.94 -16.55 55.04 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.156 0.983 . . . . 75.12 112.002 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.425 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.8 mt -108.39 132.83 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.609 0.764 . . . . 64.51 109.841 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 18.1 t70 -88.8 -41.49 12.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.713 0.768 . . . . 52.33 110.208 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 4' ' ' VAL . 8.0 ptp -145.62 136.25 24.28 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.731 -1.122 . . . . 64.44 108.825 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.425 ' HB ' HG21 ' A' ' 46' ' ' ILE . 3.8 tt -133.04 138.68 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 123.857 0.863 . . . . 73.31 109.017 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG21 HG22 ' A' ' 108' ' ' VAL . 57.8 mt -126.36 108.42 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 108.236 -1.024 . . . . 72.53 108.236 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 62' ' ' ILE . 60.7 t -101.01 135.29 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.662 0.785 . . . . 63.01 110.147 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 13' ' ' ILE . 46.3 tptt -124.79 106.01 9.72 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.79 -0.818 . . . . 55.34 108.79 172.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -170.02 162.12 8.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.339 1.456 . . . . 55.25 107.599 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.57 -8.3 21.11 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.06 0.544 . . . . 73.52 111.185 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -70.12 93.17 0.79 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 109.542 -0.54 . . . . 72.12 109.542 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' A' ' 82' ' ' ILE . 54.0 mtpt -57.08 -34.12 67.98 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.098 1.359 . . . . 73.23 112.865 -170.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.07 -44.95 75.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.925 -1.034 . . . . 74.42 110.943 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 93.3 p -73.06 -43.08 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.035 -0.529 . . . . 71.25 110.633 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 75' ' ' ILE . 87.7 mt -50.05 -49.27 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.013 0.925 . . . . 51.43 110.349 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -50.17 -46.63 54.39 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.43 1.081 . . . . 72.41 111.281 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 30.0 mm-40 -66.63 -44.24 82.54 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.292 0.637 . . . . 72.03 111.499 -176.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.69 -55.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 O-C-N 123.66 0.6 . . . . 62.2 109.855 174.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.61 -42.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 124.12 0.887 . . . . 74.24 111.138 -175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -57.15 -43.93 82.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.495 0.718 . . . . 75.04 111.039 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.3 mm100 -65.46 -41.62 93.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.701 0.626 . . . . 65.12 110.79 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 71' ' ' ALA . 58.0 t -67.62 -39.38 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 63.32 111.343 -177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.343 0.657 . . . . 73.42 109.647 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.98 -41.45 96.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.885 -1.052 . . . . 71.12 110.407 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -75.83 -29.14 58.52 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 63.42 111.51 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.18 33.8 43.54 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.421 -0.354 . . . . 34.32 112.451 -173.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.9 172.16 7.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.706 0.802 . . . . 62.43 110.57 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.6 mppt? -89.47 144.31 26.14 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.921 -0.77 . . . . 73.41 108.921 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.678 HG13 HG23 ' A' ' 93' ' ' VAL . 2.6 p -143.22 129.04 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.316 0.646 . . . . 63.25 110.831 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.3 tp -113.08 120.15 40.33 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.23 -1.026 . . . . 55.44 108.23 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 59' ' ' ILE . 36.4 mm -99.64 121.34 50.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.16 -0.681 . . . . 74.31 109.16 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.97 119.48 36.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.318 1.047 . . . . 71.43 108.338 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -140.01 143.97 36.7 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.102 -1.073 . . . . 71.44 108.102 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -69.2 -35.16 75.93 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.764 0.425 . . . . 65.15 110.951 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.85 125.14 34.79 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.356 -0.838 . . . . 51.15 110.376 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.19 -21.38 62.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.159 0.984 . . . . 74.53 112.875 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -80.95 -30.24 35.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.645 0.378 . . . . 75.43 110.051 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.517 HG23 ' HG2' ' A' ' 56' ' ' LYS . 59.9 mt -62.27 -51.52 71.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.625 -0.88 . . . . 70.3 108.625 170.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.565 HG23 ' HB ' ' A' ' 95' ' ' THR . 34.7 mm -51.5 -45.82 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 124.314 1.009 . . . . 72.23 110.796 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.35 -46.83 88.53 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.264 0.625 . . . . 71.1 111.055 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.4 m -58.53 -39.53 80.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.2 0.6 . . . . 42.15 110.985 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.547 HG22 HG11 ' A' ' 93' ' ' VAL . 35.7 mm -68.73 -35.15 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.726 0.811 . . . . 74.43 111.307 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 59.1 mtm180 -69.7 -43.64 72.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.7 0.4 . . . . 74.43 111.511 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -75.67 -34.35 60.46 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 116.536 -0.302 . . . . 74.45 111.363 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.36 -50.84 50.33 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.069 0.548 . . . . 60.4 110.525 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.616 ' O ' HG12 ' A' ' 93' ' ' VAL . 50.6 m-85 -124.11 91.64 49.32 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 123.614 0.765 . . . . 75.42 109.15 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.75 -10.44 27.77 Favored 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 121.869 1.713 . . . . 71.14 113.764 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -85.19 -13.97 48.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.986 0.735 . . . . 74.12 112.986 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 73' ' ' VAL . 7.3 p -77.2 150.68 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.185 0.448 . . . . 71.43 110.363 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.49 131.11 37.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.369 -1.345 . . . . 63.21 107.369 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.565 ' HB ' HG23 ' A' ' 83' ' ' ILE . 28.2 p -129.56 151.32 50.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.239 0.616 . . . . 74.34 110.443 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 140.27 11.52 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.8 -0.815 . . . . 73.33 108.8 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.13 124.44 29.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.161 -1.052 . . . . 72.13 108.161 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.67 104.89 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.684 -1.228 . . . . 62.12 107.684 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -78.46 -61.46 2.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.047 0.451 . . . . 74.31 109.896 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.59 170.06 8.26 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.533 -0.758 . . . . 75.0 109.531 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -52.4 -27.2 14.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.369 1.867 . . . . 73.14 113.941 -174.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -78.86 -37.07 41.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.532 0.733 . . . . 71.52 111.844 -173.217 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.46 -29.71 69.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.822 0.449 . . . . 75.31 111.576 170.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HD12 ' A' ' 13' ' ' ILE . 39.8 t -68.54 -53.59 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 N-CA-C 109.78 -0.452 . . . . 73.34 109.78 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.51 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.1 pttt -65.36 -34.97 79.57 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.422 0.452 . . . . 74.04 111.116 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -52.88 -54.27 36.97 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.184 0.994 . . . . 72.53 111.378 168.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -62.38 -36.95 83.89 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.257 -0.883 . . . . 71.34 112.062 -175.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 50' ' ' ILE . 78.1 t -64.06 -52.0 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 O-C-N 124.144 0.903 . . . . 64.14 110.249 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.54 -48.41 72.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.076 0.95 . . . . 72.43 111.387 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.73 -44.41 90.46 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.707 1.203 . . . . 71.12 110.861 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 39.9 t80 -65.05 -41.83 94.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.222 1.009 . . . . 74.01 111.262 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 19.3 mt -75.43 -39.95 58.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.819 -0.628 . . . . 54.42 111.175 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.06 -25.03 62.46 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 74.32 111.407 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -90.21 -9.4 48.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.69 0.626 . . . . 72.43 112.69 172.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.09 21.44 65.92 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.211 0.319 . . . . 55.54 113.583 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 151.32 -116.91 0.79 Allowed Glycine 0 C--N 1.342 0.903 0 N-CA-C 110.784 -0.926 . . . . 75.54 110.784 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' A' ' 120' ' ' HIS . 17.3 m -56.19 120.86 8.23 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.433 1.093 . . . . 73.5 112.595 -173.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.53 -50.41 70.07 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.08 1.352 . . . . 64.25 112.743 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.92 17.38 17.97 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.981 1.312 . . . . 74.42 109.375 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 117' ' ' SER . 3.2 t60 58.73 53.17 6.09 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.456 1.503 . . . . 64.42 111.024 -171.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -48.55 126.37 11.5 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 107.832 -1.173 . . . . 74.03 107.832 160.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -49.38 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 O-C-N 125.005 1.441 . . . . 73.12 113.441 -160.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -125.75 133.67 52.0 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 106.073 -1.825 . . . . 72.01 106.073 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 149.72 30.43 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 124.051 0.845 . . . . 75.25 111.095 -174.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 CA--C 1.558 1.253 0 O-C-N 123.826 0.704 . . . . 71.13 109.476 175.54 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.302 -0.258 . . . . 75.54 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.44 33.27 84.26 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 123.359 0.412 . . . . 74.11 113.852 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -81.21 105.85 12.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.05 0.54 . . . . 72.1 110.617 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.415 HG11 HD21 ' A' ' 112' ' ' LEU . 16.1 t -96.47 123.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 N-CA-C 108.929 -0.767 . . . . 61.3 108.929 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 29' ' ' GLN . 69.7 t -123.5 118.37 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.843 -0.799 . . . . 72.15 108.843 174.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.2 t80 -96.36 120.92 37.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.21 0.604 . . . . 74.44 109.424 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 37' ' ' ILE . 55.0 tp -110.05 135.2 51.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.373 1.069 . . . . 74.35 108.929 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 58.5 m -154.33 146.87 24.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.561 0.744 . . . . 73.42 110.615 173.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.08 14.41 14.15 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.673 0.789 . . . . 62.41 111.043 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -142.81 130.09 20.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.413 0.685 . . . . 71.34 109.83 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.25 -43.1 78.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.588 0.755 . . . . 64.31 112.581 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -56.08 -36.69 68.38 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.461 0.704 . . . . 70.15 111.207 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 HG21 ' A' ' 104' ' ' VAL . 47.0 mm -67.7 -51.39 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 115.423 -0.808 . . . . 61.34 109.941 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.28 -43.07 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.452 1.101 . . . . 75.43 111.187 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.03 -41.93 70.19 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.419 0.688 . . . . 72.12 111.751 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 30.4 mm-40 -63.32 -43.67 97.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.322 0.649 . . . . 65.3 111.596 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 86.2 t -70.48 -40.74 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.775 -0.648 . . . . 63.41 110.822 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -58.32 -37.96 76.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.887 . . . . 73.23 110.482 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.2 -54.4 21.42 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 115.129 -0.941 . . . . 72.32 110.813 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -62.92 -40.38 97.42 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.564 0.54 . . . . 64.22 110.783 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.39 93.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.96 -1.018 . . . . 73.24 110.933 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.12 -48.01 83.51 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.779 0.675 . . . . 72.34 110.779 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.14 -43.67 74.38 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.915 0.886 . . . . 64.12 111.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -82.2 -17.24 46.87 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.863 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.88 15.53 65.15 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-O 119.938 -0.368 . . . . 73.35 113.241 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.41 110.18 5.18 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.202 0.601 . . . . 74.13 110.611 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.8 92.91 0.71 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.528 0.731 . . . . 72.15 109.881 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 112' ' ' LEU . 29.6 mt -117.29 130.75 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.661 -0.496 . . . . 64.04 109.661 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.515 ' HB3' HG22 ' A' ' 5' ' ' VAL . 22.1 tp60 -88.07 113.35 23.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.662 -0.866 . . . . 72.13 108.662 170.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 6' ' ' PHE . 41.1 p -97.99 148.91 23.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 110.049 -0.352 . . . . 74.32 110.049 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.7 t -151.87 151.18 30.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.888 0.875 . . . . 72.14 110.384 -176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 8' ' ' SER . 26.8 t-20 -96.75 -49.39 5.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.004 0.922 . . . . 72.24 109.671 168.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.62 105.41 1.87 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.374 -1.285 . . . . 73.12 111.126 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 17.5 ptpt -71.94 -28.28 63.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.168 0.987 . . . . 74.12 113.461 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.41 -36.03 80.46 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.133 0.271 . . . . 73.1 111.123 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.9 tt0 -63.05 -45.33 92.72 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 109.794 -0.447 . . . . 65.51 109.794 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 7' ' ' LEU . 51.9 mm -66.51 -38.04 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.129 -0.941 . . . . 52.2 111.483 -172.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' HG3' ' A' ' 65' ' ' GLN . 88.3 mt -58.69 -39.67 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.918 0.887 . . . . 73.43 110.208 172.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 28.5 t70 -71.67 -30.66 65.96 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.356 -0.838 . . . . 34.43 110.956 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.7 mtp180 -70.82 -35.02 72.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.764 0.426 . . . . 63.31 110.075 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 66' ' ' VAL . 61.4 mt -67.1 -34.98 78.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.19 0.596 . . . . 70.11 110.596 174.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.569 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -61.49 -36.49 80.63 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.774 0.83 . . . . 72.42 111.149 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.7 mtt-85 -83.22 -5.59 59.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.65 0.78 . . . . 73.42 112.562 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 22.02 12.82 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.212 1.005 . . . . 75.24 110.545 -172.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.65 -20.22 63.59 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.565 1.546 . . . . 73.14 112.057 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.9 mt -113.3 131.61 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 123.85 0.86 . . . . 74.05 109.645 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -86.66 -39.82 15.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.675 0.79 . . . . 75.34 110.662 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.575 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 16.5 ptm -151.28 132.66 14.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.268 -0.878 . . . . 61.41 109.449 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.501 ' HB ' HG21 ' A' ' 46' ' ' ILE . 6.3 tt -131.74 141.09 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.999 0.92 . . . . 71.04 109.311 -172.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.493 HG21 HG22 ' A' ' 108' ' ' VAL . 67.4 mt -128.51 115.05 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 107.908 -1.145 . . . . 73.02 107.908 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.59 HG21 HG21 ' A' ' 62' ' ' ILE . 40.7 t -112.26 116.39 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.575 0.75 . . . . 63.52 110.543 -173.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 29.3 tptp -102.35 105.79 16.45 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.481 -0.933 . . . . 74.4 108.481 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.471 HG22 HG12 ' A' ' 51' ' ' VAL . 13.7 t -163.41 161.32 24.3 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 74.54 108.994 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -119.61 13.27 12.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.788 0.835 . . . . 72.24 110.057 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.69 101.49 13.19 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.928 -0.768 . . . . 75.0 108.928 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG2' HG23 ' A' ' 82' ' ' ILE . 45.8 mtmt -54.05 -43.86 70.58 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.278 1.031 . . . . 71.14 112.793 -174.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 29.9 mm-40 -60.96 -43.91 98.07 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.157 0.91 . . . . 74.15 111.231 -172.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 79.5 p -74.31 -41.92 60.35 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.638 0.586 . . . . 72.32 110.992 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.483 HG23 HD12 ' A' ' 75' ' ' ILE . 83.9 mt -49.56 -50.82 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.79 0.836 . . . . 64.43 110.212 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 t -54.66 -44.62 73.43 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 124.728 1.267 . . . . 71.44 110.868 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 22.2 mm-40 -61.38 -47.31 86.43 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 123.669 0.606 . . . . 72.44 111.135 -178.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.59 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.46 -55.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 124.073 0.858 . . . . 73.23 109.53 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 53.2 mt -58.46 -42.79 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 124.111 0.882 . . . . 74.03 111.11 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -56.25 -42.92 78.15 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.072 0.949 . . . . 54.42 111.022 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.585 ' HG3' HG23 ' A' ' 38' ' ' ILE . 9.7 mm100 -80.12 -27.49 39.14 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.267 -0.879 . . . . 70.31 111.596 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 89.1 t -72.65 -44.58 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.073 0.549 . . . . 71.25 110.227 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 94.5 mt -60.35 -42.58 96.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.565 0.746 . . . . 64.12 109.906 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.53 -31.41 68.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.31 -0.859 . . . . 71.42 110.574 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -75.08 -25.34 58.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.571 0.749 . . . . 74.04 110.817 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 34.06 64.84 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.239 -0.437 . . . . 62.24 112.579 -173.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -101.2 -179.01 3.91 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.144 0.978 . . . . 52.5 110.716 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.575 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 4.0 mppt? -95.14 146.64 24.16 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.189 0.596 . . . . 70.21 109.532 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.84 132.69 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.048 0.939 . . . . 74.42 110.895 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.8 tp -119.39 113.93 21.56 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.33 1.052 . . . . 71.32 108.558 173.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 59' ' ' ILE . 42.9 mm -92.84 123.17 44.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 123.705 0.802 . . . . 64.54 109.651 176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.31 120.46 37.71 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.915 1.286 . . . . 74.54 107.735 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -137.39 141.57 41.71 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.377 -0.971 . . . . 44.14 108.377 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -33.75 74.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.184 0.516 . . . . 72.11 111.176 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.69 124.04 33.14 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.337 -0.847 . . . . 70.23 110.847 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' A' ' 97' ' ' ARG . 29.7 tt0 -73.32 -24.77 60.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.973 -1.012 . . . . 70.14 112.367 -176.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -72.45 -32.5 66.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.321 -0.622 . . . . 74.0 109.321 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.5 mt -68.46 -47.97 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.569 0.748 . . . . 74.15 109.374 174.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 28.1 mm -50.97 -45.86 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 O-C-N 124.023 0.827 . . . . 73.21 110.368 173.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -62.65 -45.66 91.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.741 0.816 . . . . 64.23 111.641 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.2 m -57.29 -42.05 80.98 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.967 0.507 . . . . 42.41 110.693 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' ILE . 38.9 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-N 114.999 -1.001 . . . . 75.45 110.902 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 47.7 mtm180 -72.01 -48.09 47.19 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.65 0.38 . . . . 71.42 111.804 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.1 -31.18 67.47 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.617 -0.265 . . . . 74.15 111.616 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -73.57 -53.41 10.59 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.729 -0.471 . . . . 73.22 109.729 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -120.02 104.11 44.42 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.336 0.654 . . . . 74.32 110.612 -172.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -71.33 -30.32 15.76 Favored 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.275 1.984 . . . . 72.14 113.285 169.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 5.32 11.09 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 113.93 1.085 . . . . 72.55 113.93 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.717 HG23 HG13 ' A' ' 73' ' ' VAL . 11.6 p -104.54 143.37 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.276 0.489 . . . . 74.23 110.845 174.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.56 129.75 34.79 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.553 -0.906 . . . . 71.33 108.553 166.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 20.0 p -128.63 145.59 51.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.576 0.751 . . . . 72.23 109.406 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.57 128.78 8.22 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.338 -0.986 . . . . 60.13 108.338 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 70.7 ttt180 -67.29 126.52 29.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.11 -0.7 . . . . 73.23 109.11 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.566 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -137.52 108.28 6.64 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 107.868 -1.16 . . . . 74.23 107.868 -177.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.61 -40.57 6.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.959 0.904 . . . . 74.34 109.437 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m-20 -90.5 136.61 32.95 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.467 -1.242 . . . . 74.54 109.516 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -63.0 -27.55 69.5 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.573 0.749 . . . . 73.52 111.474 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.8 pt-20 -67.05 -40.89 87.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.619 0.768 . . . . 75.2 110.791 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.14 -26.11 64.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.173 0.589 . . . . 73.13 112.236 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 13' ' ' ILE . 60.1 t -72.35 -54.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 110.216 -0.29 . . . . 73.31 110.216 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.526 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.7 pttt -65.02 -30.14 71.1 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.285 0.366 . . . . 64.14 111.049 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 36.7 t70 -58.29 -57.33 13.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.918 0.762 . . . . 64.51 110.231 166.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.54 68.11 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.858 0.863 . . . . 75.25 112.468 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 50' ' ' ILE . 92.8 t -64.86 -54.41 30.16 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 O-C-N 124.338 1.024 . . . . 55.44 109.634 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.89 -35.48 76.76 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.876 0.735 . . . . 62.52 111.451 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 5.6 mm-40 -67.99 -43.75 78.2 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.497 0.719 . . . . 74.21 110.12 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.37 -31.11 72.19 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.794 0.838 . . . . 75.42 110.3 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 76.1 mt -78.21 -50.12 12.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.05 0.94 . . . . 63.23 111.628 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -65.99 -35.07 79.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.144 0.577 . . . . 71.21 112.166 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 117' ' ' SER . 17.8 mm-40 -82.09 2.41 31.4 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 111.66 0.245 . . . . 60.24 111.66 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.87 1.76 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 123.514 0.509 . . . . 50.25 113.321 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.58 38.08 78.3 Favored Glycine 0 C--N 1.347 1.146 0 O-C-N 123.516 0.186 . . . . 71.14 113.004 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 75.5 p -167.32 150.29 6.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.715 0.806 . . . . 50.4 109.855 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 mt -81.15 -70.01 0.56 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.161 -0.681 . . . . 72.2 109.161 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 53.96 27.26 7.16 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.255 1.022 . . . . 70.22 112.363 -168.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.71 55.33 2.15 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.917 0.887 . . . . 75.53 109.738 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 m80 53.21 68.88 0.77 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 113.993 -1.458 . . . . 63.44 111.107 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -67.03 93.75 0.3 Allowed 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 122.409 1.1 . . . . 71.43 108.964 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -95.24 165.68 12.28 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 114.756 -1.111 . . . . 73.4 112.161 -166.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -82.84 143.69 30.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.317 -1.31 . . . . 74.24 108.406 171.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--O 1.244 0.795 0 N-CA-C 109.028 -0.731 . . . . 71.44 109.028 174.054 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.119 -0.697 . . . . 72.33 109.119 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.594 ' HA3' ' HB2' ' A' ' 47' ' ' ASP . . . 67.37 -95.82 0.32 Allowed Glycine 0 C--N 1.35 1.345 0 N-CA-C 110.561 -1.015 . . . . 70.04 110.561 -171.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 16.9 tppt? 173.51 131.14 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.409 1.484 . . . . 62.22 109.292 170.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -99.85 125.86 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 107.6 -1.259 . . . . 72.4 107.6 167.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.6 t -120.74 121.99 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 109.251 -0.648 . . . . 73.04 109.251 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.7 t80 -94.9 106.43 18.42 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.57 -0.9 . . . . 73.11 108.57 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 HG13 ' A' ' 37' ' ' ILE . 59.5 tp -102.65 129.52 49.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.061 0.944 . . . . 73.32 108.901 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 66.9 m -148.68 157.19 43.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.665 . . . . 70.12 109.986 174.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -105.81 4.6 29.99 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.688 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.04 125.68 51.7 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.586 -0.697 . . . . 64.01 109.138 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.02 -38.84 92.25 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.479 1.112 . . . . 74.03 112.94 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.75 -50.53 70.69 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.414 -0.587 . . . . 71.11 109.414 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 52' ' ' LYS . 50.3 mm -49.56 -51.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 114.32 -1.309 . . . . 75.53 111.658 172.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 30' ' ' THR . 85.4 mt -56.36 -48.69 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.71 0.804 . . . . 73.35 110.947 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.51 -34.77 70.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.346 0.658 . . . . 74.42 112.57 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 101' ' ' LYS . 24.5 mm-40 -64.09 -47.02 81.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.439 0.696 . . . . 72.3 111.08 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 105' ' ' LYS . 61.5 t -77.22 -32.28 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 115.644 -0.707 . . . . 75.5 111.279 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -64.3 -46.02 85.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.718 0.807 . . . . 64.14 110.293 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.0 tppt? -62.86 -45.44 92.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.88 -1.055 . . . . 74.03 110.125 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 109' ' ' GLU . 56.1 tttp -57.99 -46.1 85.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.278 0.631 . . . . 74.15 111.846 176.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.92 72.54 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.588 0.755 . . . . 61.12 111.275 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.78 -47.37 53.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.53 0.732 . . . . 71.42 110.382 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 70.8 mm-40 -61.3 -45.89 92.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.518 0.727 . . . . 74.11 111.753 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -76.39 -21.48 55.99 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.085 -0.507 . . . . 74.02 111.795 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.57 67.84 Favored Glycine 0 C--N 1.343 0.931 0 O-C-N 123.522 0.514 . . . . 74.51 113.072 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 121.4 14.87 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.426 -0.583 . . . . 70.01 109.426 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.21 92.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.095 0.558 . . . . 64.02 109.659 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.44 HD11 HD11 ' A' ' 112' ' ' LEU . 31.8 mt -134.02 127.1 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.794 0.838 . . . . 73.2 110.271 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.1 tp60 -89.71 113.65 25.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 170.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 6' ' ' PHE . 38.8 p -97.14 130.88 44.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 73.14 109.285 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 t -152.13 160.06 43.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.883 0.473 . . . . 62.53 111.194 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' SER . 42.0 t30 -105.47 -46.89 4.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.209 1.004 . . . . 71.41 111.178 -178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.11 109.62 8.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.598 0.759 . . . . 72.42 110.327 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HB2' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -70.32 -21.63 62.9 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.825 0.676 . . . . 65.02 112.825 -178.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.8 -37.52 73.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.189 0.596 . . . . 74.32 111.978 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.62 -38.92 70.73 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.208 1.003 . . . . 75.43 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.412 HG13 HD13 ' A' ' 7' ' ' LEU . 44.9 mm -68.07 -36.17 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 115.246 -0.888 . . . . 75.33 110.669 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -58.24 -41.9 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.055 1.342 . . . . 61.33 110.452 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 32.2 t70 -63.32 -35.82 81.63 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.93 0.892 . . . . 65.22 111.294 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.83 -32.51 57.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.736 0.415 . . . . 62.21 110.787 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.32 -35.36 80.1 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.131 0.573 . . . . 62.21 110.768 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 58.3 mtpt -63.98 -30.85 71.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.798 0.839 . . . . 71.2 111.379 175.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -86.17 -5.74 59.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.558 0.743 . . . . 73.21 111.787 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 64.22 20.27 12.11 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.568 1.147 . . . . 75.44 110.334 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.38 -19.83 59.32 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.728 1.211 . . . . 55.02 111.193 -170.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 55.0 mt -105.25 124.4 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.158 0.983 . . . . 72.24 108.67 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.594 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 31.3 t70 -78.39 -42.33 30.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.28 0.632 . . . . 75.34 110.859 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.11 138.67 19.6 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.463 -0.79 . . . . 70.33 109.698 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -135.89 142.62 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.329 0.652 . . . . 65.42 109.81 -175.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.4 mt -124.01 109.11 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.072 0.949 . . . . 64.15 108.673 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 62' ' ' ILE . 41.3 t -104.35 121.81 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.534 1.133 . . . . 72.24 110.286 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 13' ' ' ILE . 43.7 tptt -115.68 106.82 14.33 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.305 1.042 . . . . 75.14 108.874 173.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 51' ' ' VAL . 6.4 t -162.74 150.52 13.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.081 1.353 . . . . 73.14 108.495 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -13.29 31.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.221 0.608 . . . . 71.42 111.222 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.11 107.85 15.13 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.832 -0.803 . . . . 71.13 108.832 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 59' ' ' ILE . 61.1 pttt -60.12 -25.05 65.16 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.421 1.088 . . . . 74.13 113.131 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.37 -33.7 42.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.959 0.503 . . . . 73.42 110.003 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -70.95 -40.56 71.93 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.257 0.623 . . . . 63.31 109.432 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.553 HG23 HD12 ' A' ' 75' ' ' ILE . 88.8 mt -56.47 -51.74 61.22 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 C-N-CA 124.243 1.017 . . . . 71.02 110.211 171.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.6 t -54.74 -47.35 73.94 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.799 -1.546 . . . . 55.2 111.063 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 34.8 mm-40 -49.3 -52.74 25.71 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 124.428 1.08 . . . . 70.32 112.265 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 34' ' ' LYS . 1.8 mp -59.48 -47.62 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 123.74 0.65 . . . . 72.25 110.232 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 61.0 mt -62.49 -34.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.714 0.633 . . . . 74.14 110.914 -177.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' SER . 27.2 mtpp -61.45 -44.29 97.37 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.405 0.682 . . . . 75.43 109.929 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 6.7 mm100 -69.2 -28.6 66.53 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 115.306 -0.861 . . . . 51.04 110.882 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.16 -26.35 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.805 0.842 . . . . 55.04 110.985 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.2 mt -70.77 -36.42 73.07 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.888 -0.782 . . . . 75.22 108.888 173.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.57 -44.13 68.03 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 114.983 -1.008 . . . . 44.51 112.124 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -82.58 -55.52 4.41 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.092 0.472 . . . . 63.51 111.362 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.53 38.78 3.38 Favored Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.606 -0.725 . . . . 65.14 111.576 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.07 178.63 6.14 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.625 0.77 . . . . 71.2 110.488 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -87.57 144.1 26.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.252 -1.018 . . . . 44.31 108.252 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 93' ' ' VAL . 7.3 p -143.92 132.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.26 0.552 . . . . 73.43 110.237 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 118' ' ' LEU . 34.7 tp -113.23 136.31 52.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.253 -1.017 . . . . 74.54 108.253 173.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.553 HD12 HG23 ' A' ' 59' ' ' ILE . 36.9 mm -117.82 119.4 61.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 123.82 0.848 . . . . 74.52 109.266 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 93.4 mt -118.52 121.64 40.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.669 1.188 . . . . 74.5 108.022 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.3 t -143.76 147.35 34.04 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.168 -0.679 . . . . 43.1 109.168 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -67.82 -37.23 81.66 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.749 0.655 . . . . 74.32 110.106 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.54 109.59 10.4 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 115.092 -0.958 . . . . 61.44 110.077 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.49 -28.99 66.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.433 1.093 . . . . 74.34 110.683 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.25 -34.58 70.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.781 0.433 . . . . 72.1 110.018 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' A' ' 86' ' ' ILE . 59.5 mt -74.03 -37.18 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.987 0.515 . . . . 73.34 110.396 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 26.4 mm -56.6 -44.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.673 -0.492 . . . . 63.04 109.673 171.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.655 0.782 . . . . 71.2 110.756 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.9 m -59.48 -45.06 92.74 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.994 0.809 . . . . 70.14 111.193 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.9 mm -68.41 -31.64 52.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.519 -0.764 . . . . 72.45 110.914 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 48.2 mtm105 -75.63 -40.58 56.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.941 0.497 . . . . 73.34 112.121 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 ptmt -76.24 -29.05 57.38 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.6 0.36 . . . . 64.12 110.973 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -76.4 -54.85 6.16 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.542 -0.54 . . . . 74.31 109.542 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -112.91 101.46 53.24 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.259 1.024 . . . . 74.52 109.472 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.5 -29.46 20.31 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.511 2.14 . . . . 74.04 113.825 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.74 -29.95 51.39 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.776 0.658 . . . . 50.2 112.776 -171.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 73' ' ' VAL . 9.4 p -68.24 133.06 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 122.733 0.413 . . . . 75.43 111.322 -172.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 124' ' ' HIS . 3.6 mp0 -73.03 135.95 44.97 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.109 -0.701 . . . . 61.43 109.109 168.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 75' ' ' ILE . 1.9 p -146.98 145.11 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.99 1.316 . . . . 71.33 108.497 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -162.51 146.66 11.84 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 109.332 -0.618 . . . . 75.15 109.332 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -67.5 128.86 38.0 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.138 -0.69 . . . . 53.41 109.138 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -143.36 106.32 4.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.122 -1.436 . . . . 54.32 107.122 173.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -94.85 -56.86 2.62 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.921 -0.77 . . . . 60.41 108.921 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.89 155.74 18.52 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.58 -1.191 . . . . 64.03 108.763 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -58.21 -26.82 63.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 63.34 112.673 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.55 -45.43 87.12 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 109.876 -0.416 . . . . 74.24 109.876 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.7 -36.14 80.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.068 0.947 . . . . 73.54 111.2 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 13' ' ' ILE . 46.8 t -70.15 -59.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.818 0.699 . . . . 64.11 110.597 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 17' ' ' VAL . 61.3 pttt -67.33 -32.84 74.07 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.427 0.454 . . . . 65.53 111.866 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.55 -51.63 66.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.916 0.886 . . . . 74.44 110.747 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.234 0.614 . . . . 73.31 111.881 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.528 ' HA ' HD13 ' A' ' 50' ' ' ILE . 69.2 t -64.42 -57.26 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 122.906 0.482 . . . . 75.2 109.8 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' HB2' ' HE3' ' A' ' 20' ' ' LYS . 27.3 tt0 -58.36 -37.39 75.12 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 123.973 0.796 . . . . 71.54 110.907 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.27 -39.2 89.26 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 114.774 -1.103 . . . . 64.13 110.52 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -72.64 -30.27 64.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.424 0.69 . . . . 64.25 110.545 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 4' ' ' VAL . 68.9 mt -71.55 -48.23 49.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.778 0.831 . . . . 54.21 110.886 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.65 -37.18 70.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.525 0.73 . . . . 64.44 111.895 -176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.07 -14.17 45.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.049 0.54 . . . . 64.22 111.751 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.27 -56.63 4.26 Favored Glycine 0 C--N 1.352 1.422 0 N-CA-C 112.323 -0.311 . . . . 25.4 112.323 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.41 52.49 0.42 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.707 -0.557 . . . . 60.52 111.707 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -159.32 158.89 33.24 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.273 1.029 . . . . 75.42 109.974 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 74' ' ' LEU . 45.0 mt -130.03 -62.31 0.95 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.407 0.683 . . . . 74.11 110.158 174.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 107.15 0.81 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.33 -1.305 . . . . 74.44 110.661 -176.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -72.13 82.03 0.98 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.589 0.756 . . . . 60.22 110.179 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -123.37 -68.31 0.88 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.04 -1.467 . . . . 73.2 107.04 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -157.5 -48.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.141 0.976 . . . . 60.13 110.528 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -137.8 -77.76 0.38 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.665 0.786 . . . . 71.51 109.793 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 94' ' ' GLU . 69.3 t60 -162.41 149.17 13.29 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.559 0.744 . . . . 73.24 110.263 -172.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 42.7 t60 . . . . . 0 C--O 1.249 1.07 0 N-CA-C 108.211 -1.033 . . . . 71.04 108.211 169.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.636 -0.505 . . . . 51.43 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.89 86.19 0.52 Allowed Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.762 -0.535 . . . . 64.31 111.762 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.61 108.66 1.4 Allowed 'General case' 0 C--O 1.242 0.695 0 CA-C-O 120.86 0.362 . . . . 63.55 110.693 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.48 122.11 45.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 114.6 -1.182 . . . . 74.14 108.206 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 37' ' ' ILE . 78.1 t -117.35 120.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.37 -0.604 . . . . 74.13 109.37 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -96.05 104.89 16.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.211 -0.663 . . . . 72.12 109.211 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 55.2 tp -95.07 112.8 24.46 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.982 -0.747 . . . . 71.44 108.982 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -132.85 142.98 49.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.203 -0.666 . . . . 72.43 109.203 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.16 2.66 55.93 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.452 0.701 . . . . 74.13 110.054 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -128.39 130.14 47.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.748 0.819 . . . . 62.14 110.275 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -67.21 -46.93 72.39 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.673 0.789 . . . . 73.42 112.418 -175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -50.96 -37.5 44.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.762 0.825 . . . . 75.44 111.553 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 104' ' ' VAL . 47.9 mm -69.26 -52.0 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.388 -1.278 . . . . 73.42 110.56 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG23 ' HB ' ' A' ' 30' ' ' THR . 84.8 mt -57.91 -40.59 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.335 1.054 . . . . 75.13 111.781 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -46.6 88.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.81 0.844 . . . . 72.14 111.005 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.648 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.2 mm-40 -65.78 -47.38 75.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.214 -0.903 . . . . 72.2 111.914 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 105' ' ' LYS . 70.9 t -64.97 -42.08 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.451 0.7 . . . . 53.51 111.169 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 -37.39 72.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.269 0.628 . . . . 53.14 111.764 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -72.78 -39.32 66.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.577 0.351 . . . . 75.21 110.999 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.15 -42.88 96.59 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.859 -0.61 . . . . 62.31 110.357 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.88 78.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.597 0.759 . . . . 75.51 110.82 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.5 -50.02 74.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.822 0.849 . . . . 71.03 110.39 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.9 -32.98 74.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.648 0.779 . . . . 72.54 112.626 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.67 -5.99 50.22 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.33 0.493 . . . . 72.14 112.33 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.89 67.65 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 114.022 0.369 . . . . 55.44 114.022 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -90.06 117.88 29.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.032 0.933 . . . . 73.42 110.964 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.84 94.74 8.8 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.697 -1.223 . . . . 63.54 107.697 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.93 129.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.724 -0.61 . . . . 61.01 109.56 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 5' ' ' VAL . 64.5 tp60 -75.51 105.79 6.72 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.215 -1.032 . . . . 64.54 108.215 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 14' ' ' ILE . 32.7 p -98.07 129.37 44.91 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.48 -0.933 . . . . 63.12 108.48 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.5 t -152.92 155.21 36.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.774 0.43 . . . . 75.04 110.998 -170.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -104.68 -13.6 15.88 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.352 1.061 . . . . 61.51 109.862 170.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 37' ' ' ILE . 6.3 m-20 -75.11 78.96 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.239 1.016 . . . . 74.25 110.929 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -33.93 73.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.336 0.654 . . . . 72.53 111.362 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 123.332 0.653 . . . . 75.35 110.337 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 29.5 tt0 -65.94 -49.06 69.25 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.017 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 5' ' ' VAL . 35.8 mm -62.84 -38.55 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 123.68 0.792 . . . . 75.14 111.484 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.629 HG23 ' HG3' ' A' ' 65' ' ' GLN . 43.2 mt -55.58 -44.17 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.826 0.85 . . . . 73.21 110.537 171.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 28.2 t70 -71.37 -29.68 65.25 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.544 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.36 -29.77 59.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.991 0.516 . . . . 74.23 110.274 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.84 -41.52 97.81 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.192 0.597 . . . . 72.31 109.736 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' A' ' 38' ' ' ILE . 67.6 mttm -59.54 -37.77 79.27 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.352 0.661 . . . . 74.14 111.105 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.7 mtt180 -80.9 -8.23 59.68 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.45 0.7 . . . . 75.35 112.851 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 69' ' ' SER . 10.1 mmm180 65.96 17.52 10.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.505 0.722 . . . . 65.21 111.921 -174.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.0 -21.62 61.54 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.152 0.981 . . . . 73.1 111.872 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.4 mt -105.14 126.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.45 0.7 . . . . 41.41 109.752 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -83.71 -46.73 11.95 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.282 0.563 . . . . 61.42 109.906 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 ptm -144.23 140.02 29.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.322 -0.854 . . . . 74.3 109.497 -175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.5 tt -138.58 140.24 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.917 0.887 . . . . 64.15 109.809 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.497 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -127.63 117.4 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.1 -1.074 . . . . 72.35 108.1 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 49.1 t -109.31 124.77 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.29 0.636 . . . . 75.02 110.644 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HG2' HG21 ' A' ' 13' ' ' ILE . 27.7 tptp -116.33 107.62 15.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.344 0.658 . . . . 73.4 109.4 172.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 59' ' ' ILE . 10.0 t -165.33 152.47 10.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.219 1.008 . . . . 74.1 108.626 174.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.54 2.59 56.36 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.026 0.53 . . . . 52.14 110.888 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -86.22 89.55 7.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.63 -0.878 . . . . 74.35 108.63 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HB3' HG23 ' A' ' 82' ' ' ILE . 21.4 pttm -62.35 -26.8 68.65 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.954 0.902 . . . . 72.43 112.373 -173.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.32 -49.04 68.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.038 0.535 . . . . 64.3 110.345 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -67.12 -40.2 86.78 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.609 0.568 . . . . 73.0 110.183 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.567 HG23 HD12 ' A' ' 75' ' ' ILE . 81.1 mt -52.01 -52.83 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 124.191 0.932 . . . . 74.15 110.317 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.6 t -59.53 -31.08 69.07 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.153 -0.93 . . . . 74.33 111.78 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -70.38 -43.85 69.25 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.839 0.455 . . . . 71.44 110.894 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -56.2 -47.92 80.12 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 N-CA-C 109.515 -0.55 . . . . 74.31 109.515 174.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 63.1 mt -61.01 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 123.719 0.637 . . . . 63.14 111.181 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 60' ' ' SER . 61.8 mttp -55.62 -44.36 76.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.939 0.496 . . . . 72.42 110.422 174.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 38' ' ' ILE . 44.2 mm-40 -73.06 -25.29 60.86 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.048 -0.978 . . . . 62.54 112.687 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 73' ' ' VAL . 76.0 t -75.92 -34.06 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.095 0.558 . . . . 53.15 110.624 174.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 79.3 mt -71.31 -38.65 71.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.339 -0.615 . . . . 73.0 109.339 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.63 -39.77 94.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.412 1.085 . . . . 73.41 111.439 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.483 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . 77.6 p -82.41 -32.51 29.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.995 0.518 . . . . 63.2 111.388 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.23 37.87 35.85 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.77 -0.65 . . . . 64.51 112.129 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -88.03 174.5 8.24 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.648 0.779 . . . . 71.53 110.934 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 132.85 43.51 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.919 -1.141 . . . . 72.24 107.919 175.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 66' ' ' VAL . 9.8 p -133.81 137.84 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-O 121.492 0.663 . . . . 73.41 112.572 -175.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.497 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.2 tp -120.72 126.12 49.37 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.727 1.211 . . . . 63.43 108.03 171.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.657 ' HB ' HG22 ' A' ' 95' ' ' THR . 41.1 mm -109.47 127.16 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.559 -0.534 . . . . 73.54 109.559 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -126.31 133.23 51.45 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.555 1.142 . . . . 72.4 108.169 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.2 p -150.6 156.94 42.36 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.883 0.473 . . . . 71.23 109.867 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -82.26 13.58 3.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.93 0.892 . . . . 71.11 112.646 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HB3' HD12 ' A' ' 82' ' ' ILE . 21.6 t70 -139.12 128.96 24.86 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.235 0.614 . . . . 72.02 110.214 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.66 -33.17 75.27 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.613 1.165 . . . . 75.05 112.777 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -74.05 -31.43 62.87 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.55 0.34 . . . . 70.55 110.209 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 56' ' ' LYS . 88.1 mt -66.06 -48.01 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.405 -0.591 . . . . 74.12 109.405 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mm -55.1 -41.34 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.017 0.527 . . . . 74.13 110.781 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.17 -48.73 72.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.078 0.551 . . . . 74.41 111.449 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.437 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 51.7 p -61.12 -38.74 87.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.843 0.457 . . . . 65.45 111.108 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.485 HG22 HG11 ' A' ' 93' ' ' VAL . 22.9 mm -65.88 -37.77 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.35 -0.841 . . . . 75.05 110.918 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -78.98 -25.97 43.39 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.283 0.846 . . . . 73.44 113.283 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.9 pttt -94.16 -20.27 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.381 0.992 . . . . 63.23 111.341 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.19 -52.4 16.69 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.006 -0.738 . . . . 63.31 109.006 163.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 93' ' ' VAL . 51.5 m-85 -120.11 96.37 49.27 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.122 -0.945 . . . . 71.42 108.721 -176.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.13 -17.47 40.39 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.464 2.109 . . . . 63.33 113.819 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -100.68 4.65 43.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.281 0.845 . . . . 73.0 113.281 -174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 90' ' ' TYR . 13.4 p -79.75 139.74 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 118.212 0.46 . . . . 71.15 109.929 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 117' ' ' SER . 32.7 mm-40 -86.29 129.87 34.71 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.348 -0.982 . . . . 74.34 108.348 171.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.657 HG22 ' HB ' ' A' ' 75' ' ' ILE . 46.5 p -137.01 169.1 18.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.002 0.521 . . . . 52.23 110.284 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 52.7 ttt85 -159.23 133.76 7.88 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.959 -1.126 . . . . 71.02 107.959 165.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.73 122.52 18.26 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.413 -0.958 . . . . 73.1 108.413 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.12 103.41 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.673 -1.232 . . . . 50.41 107.673 -176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.22 -50.54 7.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.458 -0.792 . . . . 72.53 110.0 -176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -93.62 152.57 18.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.453 -0.794 . . . . 71.41 109.754 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -59.3 -27.27 65.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.607 1.563 . . . . 62.44 113.295 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.28 -45.25 81.13 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.861 0.465 . . . . 65.2 110.739 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.86 -34.18 75.53 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.31 0.644 . . . . 74.24 111.022 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.637 HG21 HD12 ' A' ' 13' ' ' ILE . 46.1 t -66.31 -54.65 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.316 -0.856 . . . . 61.21 110.501 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 66.1 pttt -61.73 -37.21 83.37 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.684 0.615 . . . . 72.44 111.358 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.19 -41.81 89.73 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.798 0.439 . . . . 74.33 111.613 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.464 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -64.02 -34.37 77.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.16 0.584 . . . . 53.33 110.774 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 59.3 t -61.29 -57.17 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.003 0.921 . . . . 74.12 109.761 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.17 -35.8 72.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.659 0.599 . . . . 75.54 111.045 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.71 -48.24 80.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.81 0.844 . . . . 70.33 110.085 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 74' ' ' LEU . 43.6 t80 -64.51 -33.17 75.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.418 1.087 . . . . 54.23 110.731 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 85.1 mt -77.51 -42.91 33.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.516 0.726 . . . . 75.22 112.299 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.9 -22.85 52.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.844 0.458 . . . . 51.23 112.015 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -83.4 -19.19 36.46 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.329 -0.396 . . . . 72.04 110.532 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.83 41.28 93.64 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.644 0.59 . . . . 53.24 112.453 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.91 -127.54 3.6 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 109.575 -1.41 . . . . 71.42 109.575 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.556 ' HA ' ' HG3' ' A' ' 94' ' ' GLU . 20.2 m -54.46 136.39 44.39 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.236 1.014 . . . . 75.42 113.668 -172.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.56 -56.64 14.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.462 -0.94 . . . . 75.32 108.462 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -103.87 110.3 22.36 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 107.339 -1.356 . . . . 75.24 107.339 166.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -65.73 -30.63 71.32 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.511 0.724 . . . . 75.52 109.929 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -105.47 84.63 2.12 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 107.71 -1.219 . . . . 61.21 107.71 163.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -68.33 86.23 0.28 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.962 0.905 . . . . 62.54 109.873 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -159.74 117.45 2.67 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.628 -1.249 . . . . 75.32 107.628 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -150.49 121.96 7.93 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.673 0.789 . . . . 73.04 109.136 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 108.911 -0.774 . . . . 74.42 108.911 177.077 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptm . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 111.803 0.298 . . . . 75.44 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.57 26.04 4.08 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-O 119.808 -0.44 . . . . 65.31 112.184 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.88 105.58 2.02 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 117.126 0.463 . . . . 75.24 110.242 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.59 126.73 45.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.867 0.867 . . . . 72.22 108.713 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -129.26 120.08 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.677 -0.861 . . . . 74.04 108.677 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -94.26 126.22 39.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.503 -0.554 . . . . 73.12 109.503 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.405 HD13 HG13 ' A' ' 37' ' ' ILE . 56.2 tp -113.44 135.72 53.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.554 -1.276 . . . . 71.11 107.554 174.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 t -150.47 155.22 39.11 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.855 -0.424 . . . . 52.14 109.855 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.15 -30.37 17.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.369 -0.832 . . . . 73.2 109.468 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.37 124.31 33.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.743 -0.662 . . . . 73.22 109.738 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.77 -38.97 92.69 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.691 0.619 . . . . 73.11 110.952 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.02 -39.65 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.966 0.906 . . . . 73.31 110.57 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 52' ' ' LYS . 45.1 mm -73.95 -44.73 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.208 -1.36 . . . . 62.41 110.551 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 30' ' ' THR . 83.3 mt -54.05 -44.65 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.971 0.908 . . . . 71.15 110.56 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.82 -46.3 85.75 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.152 0.981 . . . . 65.45 112.027 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 27.6 mm-40 -71.32 -36.84 71.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.568 0.747 . . . . 72.33 112.678 -176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -71.62 -39.23 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.889 -0.412 . . . . 71.32 109.889 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -64.99 -35.49 81.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.281 0.632 . . . . 71.14 110.56 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -64.97 -58.43 6.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.691 0.796 . . . . 62.54 109.742 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' HD2' ' A' ' 105' ' ' LYS . 23.6 tptm -56.69 -44.13 81.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.464 1.105 . . . . 72.24 111.382 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -53.88 53.33 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.906 -1.043 . . . . 73.41 111.172 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.43 -35.7 81.72 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.31 0.644 . . . . 71.43 111.628 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -59.35 -43.66 92.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.12 0.568 . . . . 73.4 111.26 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.23 1.91 56.75 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.978 0.733 . . . . 75.21 112.978 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 28.93 63.02 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 113.822 0.289 . . . . 65.13 113.822 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -90.45 114.3 26.42 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.836 0.854 . . . . 74.54 110.937 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.2 95.72 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.768 -0.827 . . . . 63.12 108.768 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 112' ' ' LEU . 43.5 mt -125.31 116.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.254 -0.647 . . . . 41.41 109.254 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.9 tp60 -76.99 111.8 12.94 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.225 -0.657 . . . . 74.24 109.225 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 14' ' ' ILE . 10.5 p -96.57 130.27 43.8 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.543 0.737 . . . . 64.41 109.425 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -147.59 160.99 42.03 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.44 0.696 . . . . 73.31 110.738 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -116.24 -25.05 7.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.64 1.176 . . . . 72.3 109.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -81.26 91.04 6.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 121.162 0.506 . . . . 72.31 110.155 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.11 -33.48 75.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.392 1.077 . . . . 64.02 112.46 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.0 -30.08 64.87 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.08 0.552 . . . . 74.14 111.421 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.1 tt0 -61.96 -49.16 77.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.291 -0.633 . . . . 75.44 109.291 169.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 7' ' ' LEU . 50.8 mm -61.26 -39.99 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 114.729 -1.123 . . . . 74.55 111.565 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 65' ' ' GLN . 89.2 mt -57.82 -45.57 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.257 1.023 . . . . 62.41 110.602 174.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.43 -36.87 83.76 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.788 -1.096 . . . . 74.33 111.485 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.05 -31.7 61.36 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 73.44 111.054 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 46' ' ' ILE . 88.0 mt -64.23 -35.57 81.25 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.303 0.641 . . . . 70.1 110.452 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.35 -34.09 76.0 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.506 0.722 . . . . 73.51 111.396 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -85.32 -1.16 56.67 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 75.31 112.32 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 62.84 22.14 13.23 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 124.101 0.96 . . . . 73.44 110.567 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -75.29 -20.87 58.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.976 1.31 . . . . 74.31 110.967 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' A' ' 41' ' ' LEU . 35.4 mt -117.12 128.55 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.061 0.944 . . . . 70.21 109.464 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -90.02 -36.68 14.79 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.843 0.857 . . . . 72.34 110.476 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 ptm -150.79 136.67 18.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.673 -1.149 . . . . 73.44 109.417 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.9 tt -134.49 144.39 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.79 0.836 . . . . 74.52 109.634 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.507 HD12 HG13 ' A' ' 108' ' ' VAL . 62.9 mt -130.55 123.55 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.088 -1.078 . . . . 72.33 108.088 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 40.0 t -118.62 119.64 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.383 0.673 . . . . 74.23 110.453 -171.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.4 tptp -103.91 106.93 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 73.44 108.922 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 51' ' ' VAL . 11.6 t -167.62 150.08 5.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.935 . . . . 72.24 109.062 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -97.78 -0.52 45.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.774 0.83 . . . . 60.25 110.34 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -74.58 94.74 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 174.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 82' ' ' ILE . 46.3 mtmt -55.04 -34.25 63.36 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.796 1.238 . . . . 75.31 112.58 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 42.8 mt-10 -74.53 -33.99 62.89 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.102 0.961 . . . . 73.24 110.984 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -67.26 -51.02 58.14 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.645 -0.502 . . . . 71.24 109.645 172.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.3 mt -50.91 -46.21 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 124.546 1.154 . . . . 73.35 110.142 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.9 t -53.15 -52.59 58.25 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.023 -1.444 . . . . 71.3 111.785 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 22.4 mm-40 -65.61 -44.48 86.4 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.367 0.667 . . . . 75.34 111.816 -174.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.48 -49.6 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 O-C-N 123.695 0.622 . . . . 71.15 110.173 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 75' ' ' ILE . 76.7 mt -60.25 -41.29 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 75.14 111.095 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -56.64 -42.07 78.26 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.198 0.599 . . . . 73.33 110.835 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HG3' HG23 ' A' ' 38' ' ' ILE . 15.4 mm100 -68.09 -34.38 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.406 -0.815 . . . . 73.2 111.506 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 71' ' ' ALA . 94.6 t -76.46 -28.81 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.514 0.725 . . . . 74.54 111.149 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -71.18 -41.32 70.5 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.75 -0.833 . . . . 61.53 108.75 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.25 -43.53 97.76 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 72.12 110.976 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -85.71 -21.9 28.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.263 0.625 . . . . 62.21 112.073 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 33.72 75.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 123.352 0.407 . . . . 54.25 112.144 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -86.86 -178.88 6.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.543 0.737 . . . . 63.21 111.026 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.33 141.98 29.76 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.735 -0.839 . . . . 73.3 108.735 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.779 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.07 137.34 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.054 0.454 . . . . 61.45 110.745 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.8 tp -121.45 115.94 23.8 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.354 -0.98 . . . . 73.43 108.354 172.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.552 HG13 HD11 ' A' ' 63' ' ' ILE . 37.7 mm -93.93 123.5 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.251 -0.648 . . . . 73.24 109.251 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 93.7 mt -118.93 120.54 37.58 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.728 -1.212 . . . . 65.34 107.728 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -137.29 141.77 41.93 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.937 -1.134 . . . . 51.22 107.937 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -67.98 -37.99 82.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.727 0.642 . . . . 71.12 110.342 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 18.9 t70 -83.18 118.33 23.53 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.283 -0.871 . . . . 74.02 109.457 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.44 -24.37 62.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.998 -1.001 . . . . 72.2 111.883 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -72.67 -32.73 66.04 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.163 -0.68 . . . . 73.15 109.163 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.558 HG23 ' HG2' ' A' ' 56' ' ' LYS . 68.1 mt -65.87 -49.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.406 -0.815 . . . . 62.3 109.111 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 27.0 mm -52.43 -44.56 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 123.537 0.523 . . . . 73.3 111.321 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -69.82 -34.57 73.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.41 0.684 . . . . 70.23 111.403 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -68.91 -36.72 78.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.237 0.615 . . . . 73.22 110.09 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 82' ' ' ILE . 45.4 mm -69.97 -28.18 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.044 0.538 . . . . 71.02 110.246 177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -71.01 -44.03 66.71 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.539 0.335 . . . . 63.32 111.843 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.11 82.78 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 120.459 0.171 . . . . 72.52 111.056 -178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.37 -39.3 65.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.337 0.655 . . . . 75.22 111.135 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -135.69 94.69 14.73 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.722 0.809 . . . . 73.34 109.4 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.18 -22.37 19.22 Favored 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 122.206 1.937 . . . . 74.14 112.814 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -68.49 -31.76 71.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.991 0.917 . . . . 64.44 113.036 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.779 HG23 HG13 ' A' ' 73' ' ' VAL . 7.6 p -77.87 137.96 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.799 0.44 . . . . 65.23 111.653 -173.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.55 116.03 12.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.042 -0.725 . . . . 72.53 109.042 165.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 23.0 p -117.7 153.02 34.07 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 123.791 0.837 . . . . 62.4 109.284 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.467 ' HD2' HD13 ' A' ' 118' ' ' LEU . 53.8 ttt180 -162.28 135.07 5.87 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.292 0.637 . . . . 62.13 109.563 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.4 126.08 28.48 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.949 -0.76 . . . . 75.41 108.949 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.63 106.41 4.47 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.972 -1.121 . . . . 65.32 107.972 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.39 -52.11 3.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.742 0.817 . . . . 75.22 109.809 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.04 151.43 22.26 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.384 -1.28 . . . . 71.44 109.33 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -50.63 -33.94 24.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.491 1.516 . . . . 63.22 112.718 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.555 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 6.2 pt-20 -69.61 -43.11 73.39 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.619 0.574 . . . . 74.24 110.841 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.51 -35.92 80.91 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.779 0.674 . . . . 75.1 111.162 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 13' ' ' ILE . 38.8 t -71.78 -57.86 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.635 0.584 . . . . 63.02 110.484 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 63.6 pttt -64.28 -34.17 77.51 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.503 0.557 . . . . 74.14 112.503 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 1.9 m-20 -72.69 -37.78 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.212 0.605 . . . . 73.54 111.367 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.19 83.29 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.79 0.436 . . . . 64.43 110.626 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 50' ' ' ILE . 76.2 t -60.87 -51.22 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 114.866 -1.061 . . . . 64.33 109.602 175.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 35.7 tt0 -58.85 -39.77 82.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.084 -0.962 . . . . 74.22 112.155 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.0 mt-10 -71.53 -35.43 70.69 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.913 0.885 . . . . 74.33 111.355 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 117' ' ' SER . 24.4 t80 -67.33 -26.05 66.31 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.907 -1.042 . . . . 55.12 109.81 176.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.5 HD11 HD11 ' A' ' 28' ' ' ILE . 65.9 mt -82.63 -36.35 26.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.472 1.109 . . . . 62.22 112.012 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.7 mttm -59.93 -46.99 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.53 0.732 . . . . 75.21 111.417 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.13 -22.03 23.06 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.888 -0.596 . . . . 71.24 110.166 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.73 56.66 9.11 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.61 0.569 . . . . 73.03 113.699 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.53 -4.83 6.65 Favored Glycine 0 N--CA 1.474 1.202 0 CA-C-O 120.322 -0.154 . . . . 72.21 113.422 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 59.3 m -142.75 168.11 20.49 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.133 0.973 . . . . 73.33 109.355 174.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 96' ' ' ARG . 32.0 mt -95.62 166.34 11.89 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.222 1.009 . . . . 63.01 109.047 172.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.87 -52.28 66.41 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.304 0.642 . . . . 62.53 110.784 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -75.77 152.81 37.29 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.457 -0.942 . . . . 74.33 108.457 164.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.1 m170 74.46 39.92 0.44 Allowed 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.36 -1.348 . . . . 75.44 107.36 -160.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -60.13 107.44 0.64 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.027 -1.442 . . . . 62.14 111.606 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.1 t60 53.74 45.27 28.28 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.555 1.142 . . . . 54.13 110.535 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -72.05 -11.02 60.56 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 116.046 -0.524 . . . . 54.45 111.702 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 73.8 m80 . . . . . 0 C--O 1.249 1.033 0 N-CA-C 107.259 -1.386 . . . . 73.44 107.259 167.074 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.937 -0.394 . . . . 71.33 109.937 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.97 60.92 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 119.934 -0.37 . . . . 63.04 112.251 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -68.86 104.99 2.2 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.968 0.507 . . . . 74.31 110.82 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 112' ' ' LEU . 12.0 t -89.12 126.24 42.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.773 1.295 . . . . 51.45 109.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 29' ' ' GLN . 84.3 t -130.37 119.39 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.736 -0.839 . . . . 75.25 108.736 172.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.574 ' HB3' HG22 ' A' ' 30' ' ' THR . 88.2 t80 -95.1 145.88 24.68 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.384 -0.599 . . . . 74.55 109.384 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -136.54 135.24 38.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.11 . . . . 74.43 108.899 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.6 t -158.55 159.23 35.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.527 0.731 . . . . 73.05 109.404 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.84 -17.47 24.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.471 0.709 . . . . 63.31 110.701 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.02 130.43 54.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.241 0.617 . . . . 75.33 110.078 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -77.41 -30.62 53.61 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 112.603 0.594 . . . . 71.04 112.603 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.75 -32.47 67.49 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.176 0.512 . . . . 74.33 110.197 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.479 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.9 mm -71.63 -49.62 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 114.981 -1.009 . . . . 64.34 109.917 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.28 -39.92 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 52.03 111.779 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.26 -36.33 82.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.201 0.6 . . . . 72.4 111.534 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 58.8 mm-40 -70.6 -40.5 73.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.098 0.559 . . . . 65.54 111.477 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 108' ' ' VAL . 71.4 t -68.69 -40.62 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.308 0.38 . . . . 52.44 110.743 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.1 t -69.17 -34.66 75.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.227 0.611 . . . . 74.41 110.867 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -73.1 -43.99 61.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.165 0.586 . . . . 74.13 110.117 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -54.96 -52.12 64.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.678 0.791 . . . . 73.33 109.918 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.98 85.97 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.775 -1.102 . . . . 71.11 111.25 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.49 -53.14 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.437 0.695 . . . . 61.13 111.206 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.1 -35.87 82.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.05 -0.523 . . . . 51.44 111.233 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 24.6 mm-40 -83.43 -14.54 52.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.214 0.45 . . . . 70.3 112.214 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 12.89 70.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.895 -0.392 . . . . 63.53 113.859 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -79.17 122.75 26.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.112 0.565 . . . . 73.03 110.414 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.21 106.53 15.07 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.854 -0.795 . . . . 74.2 108.854 170.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 112' ' ' LEU . 46.7 mt -120.8 131.66 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.255 -1.017 . . . . 62.31 108.255 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 5' ' ' VAL . 27.9 tp60 -86.19 109.21 18.74 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.59 -0.893 . . . . 72.21 108.59 173.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.2 p -97.99 146.69 25.25 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.931 -0.396 . . . . 71.33 109.931 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -145.65 151.29 37.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.353 0.661 . . . . 74.35 111.194 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -97.75 -28.73 13.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.511 0.724 . . . . 64.01 111.27 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -100.5 116.13 31.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.961 0.504 . . . . 73.15 110.727 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -29.23 67.8 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.844 0.858 . . . . 64.53 111.903 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.19 -37.41 80.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.537 0.735 . . . . 71.1 111.32 -172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.0 tt0 -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.173 -1.376 . . . . 71.02 109.572 172.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 7' ' ' LEU . 44.2 mm -67.94 -39.47 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 114.522 -1.217 . . . . 63.44 111.741 -175.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.646 HG23 ' HG3' ' A' ' 65' ' ' GLN . 96.1 mt -59.09 -42.37 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.429 1.092 . . . . 72.24 109.421 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 29.1 t70 -64.67 -40.87 96.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.511 -1.222 . . . . 71.34 111.045 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 72.7 mtp180 -70.83 -30.14 66.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.464 0.306 . . . . 73.33 111.562 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.25 -33.94 74.02 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.608 0.763 . . . . 74.43 110.49 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 38' ' ' ILE . 95.8 mttt -62.91 -40.7 98.4 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.229 0.612 . . . . 60.21 110.231 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 57.8 mtt180 -77.6 -2.41 35.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.696 0.799 . . . . 74.12 111.61 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 69.26 13.88 8.57 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.976 1.311 . . . . 74.11 111.607 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -25.77 66.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.734 1.214 . . . . 73.25 113.07 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' HB ' ' A' ' 49' ' ' ILE . 26.6 mt -107.74 130.83 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.973 -0.38 . . . . 72.24 109.973 -171.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.71 -38.77 9.37 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.143 0.496 . . . . 72.24 110.888 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.8 ptm -143.9 124.47 14.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.811 -1.181 . . . . 74.0 107.811 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.502 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.7 tt -130.15 144.49 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.894 0.878 . . . . 70.11 109.368 -171.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.521 HG21 HG22 ' A' ' 108' ' ' VAL . 63.2 mt -128.98 115.73 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.491 -1.3 . . . . 74.52 107.491 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 62' ' ' ILE . 70.6 t -112.72 119.46 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.187 0.595 . . . . 73.2 109.523 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -105.79 107.93 19.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.23 1.012 . . . . 65.1 108.455 172.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -161.99 152.56 17.39 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.843 0.857 . . . . 73.5 108.927 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.73 -11.02 25.61 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.607 0.763 . . . . 70.23 110.161 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.45 105.86 8.85 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.867 -0.606 . . . . 74.53 109.485 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -53.28 -38.23 62.9 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.765 1.226 . . . . 74.32 112.892 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 13.2 mm-40 -64.18 -48.51 75.66 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.254 -0.647 . . . . 65.34 109.254 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m -62.17 -44.97 95.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.723 0.809 . . . . 74.03 110.903 -176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.528 HG23 HD12 ' A' ' 75' ' ' ILE . 98.9 mt -53.19 -56.95 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.08 -0.964 . . . . 41.24 110.368 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.3 t -59.43 -42.42 91.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.026 -0.988 . . . . 71.11 111.859 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 14.1 mm-40 -61.71 -48.2 81.84 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.9 0.48 . . . . 70.02 110.383 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.77 -48.77 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.711 0.632 . . . . 70.5 110.269 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 86.4 mt -55.22 -46.13 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 123.601 0.563 . . . . 64.53 110.31 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -57.17 -43.0 82.16 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.142 0.901 . . . . 70.15 110.553 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.6 mm100 -73.04 -22.74 60.58 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.507 0.723 . . . . 75.03 112.282 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 73' ' ' VAL . 97.2 t -84.48 -27.68 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.17 0.588 . . . . 65.23 110.484 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 75.2 mt -67.69 -44.2 78.31 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.993 -1.114 . . . . 72.01 107.993 170.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.74 -42.08 78.65 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.407 1.483 . . . . 71.52 110.469 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -79.65 -21.71 44.47 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.793 -0.639 . . . . 53.41 111.928 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.2 28.27 71.94 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 112.024 -0.43 . . . . 61.11 112.024 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.17 179.14 4.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.389 1.076 . . . . 60.24 111.484 -171.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.82 142.0 28.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.668 0.787 . . . . 71.11 109.497 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.748 HG13 HG23 ' A' ' 93' ' ' VAL . 6.7 p -143.83 139.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.263 0.625 . . . . 73.02 110.342 177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' HG12 ' A' ' 50' ' ' ILE . 20.0 tp -118.7 111.8 18.96 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.173 0.989 . . . . 73.34 108.556 172.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.528 HD12 HG23 ' A' ' 59' ' ' ILE . 34.8 mm -88.07 107.29 17.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-N 115.171 -0.922 . . . . 62.2 109.236 173.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.45 121.63 41.42 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.281 -1.007 . . . . 71.25 108.281 170.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 m -138.92 139.87 38.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.214 -1.402 . . . . 63.34 107.214 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 m -69.01 -33.36 73.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.12 0.568 . . . . 54.12 111.462 -174.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.7 130.98 42.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.132 0.973 . . . . 71.22 111.43 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.37 -22.47 59.19 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.503 0.721 . . . . 63.4 112.687 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -76.15 -33.73 59.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 108.867 -0.79 . . . . 71.4 108.867 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 86' ' ' ILE . 55.7 mt -66.15 -50.58 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 109.123 -0.695 . . . . 73.14 109.123 172.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' HB ' ' A' ' 95' ' ' THR . 19.7 mm -50.41 -47.08 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.409 0.684 . . . . 74.11 111.107 173.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -65.14 -38.59 91.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.032 0.933 . . . . 64.52 111.162 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.5 m -63.5 -40.76 97.93 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.145 0.578 . . . . 72.4 110.656 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 82' ' ' ILE . 39.2 mm -68.62 -28.12 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.819 -0.628 . . . . 61.2 110.797 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 45.7 mtm180 -77.38 -41.54 39.8 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.041 0.536 . . . . 73.32 112.163 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -31.47 68.69 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.365 0.266 . . . . 75.13 110.792 -176.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.39 -53.19 7.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.98 0.512 . . . . 74.35 110.362 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.9 m-85 -121.99 96.47 46.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 123.872 0.869 . . . . 74.4 108.886 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.49 -18.06 23.14 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.019 1.812 . . . . 65.15 112.922 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -83.16 -16.18 47.69 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.041 0.936 . . . . 54.33 113.385 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 73' ' ' VAL . 7.7 p -79.75 143.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.672 0.389 . . . . 64.41 110.696 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.97 114.33 14.48 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.446 -0.946 . . . . 75.2 108.446 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.554 ' HB ' HG23 ' A' ' 83' ' ' ILE . 7.3 p -120.49 144.07 48.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.832 0.853 . . . . 73.32 109.655 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -159.55 130.56 5.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.072 -0.513 . . . . 70.35 110.155 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -61.81 130.21 44.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.632 -0.713 . . . . 75.0 109.693 169.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.6 3.94 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.684 -1.228 . . . . 55.3 107.684 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -91.13 -52.12 4.98 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.595 0.358 . . . . 75.1 111.021 -175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 t70 -93.47 153.73 18.31 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.721 0.408 . . . . 75.52 110.406 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 13' ' ' ILE . 49.7 pttt -61.57 -23.42 65.97 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.596 1.158 . . . . 63.12 112.45 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.554 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 31.7 mm-40 -61.33 -51.17 69.97 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 74.25 110.322 169.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.64 -31.1 71.56 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.51 -1.223 . . . . 63.04 111.579 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 13' ' ' ILE . 60.3 t -69.48 -53.7 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.825 0.45 . . . . 72.04 110.635 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.7 pttt -64.51 -34.17 77.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.696 0.398 . . . . 70.21 110.999 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.4 -42.34 98.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.666 0.787 . . . . 71.42 111.229 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.07 81.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.62 0.768 . . . . 72.11 111.369 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 50' ' ' ILE . 70.7 t -64.79 -56.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.318 -0.856 . . . . 74.23 109.46 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 27.9 tt0 -49.99 -41.83 47.82 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 124.384 1.053 . . . . 64.42 110.689 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 8.9 tp10 -61.72 -52.21 65.22 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.053 -0.976 . . . . 72.32 110.379 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.07 -31.71 67.33 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.378 1.071 . . . . 75.11 111.478 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 28' ' ' ILE . 58.3 mt -75.55 -49.95 17.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.861 0.865 . . . . 54.21 111.692 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 9.9 mtmp? -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.501 0.72 . . . . 62.32 111.039 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 117' ' ' SER . 11.4 mm-40 -80.5 -4.18 52.88 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 115.458 -0.792 . . . . 72.1 111.405 -175.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.47 66.75 1.58 Allowed Glycine 0 C--N 1.351 1.396 0 N-CA-C 113.926 0.33 . . . . 75.4 113.926 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.71 23.65 77.52 Favored Glycine 0 N--CA 1.474 1.215 0 N-CA-C 114.576 0.59 . . . . 63.2 114.576 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 42.8 t -166.08 133.78 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.682 -0.859 . . . . 64.1 108.682 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.54 -78.01 0.08 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.079 0.466 . . . . 52.02 109.847 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 167.03 124.32 0.01 OUTLIER 'General case' 0 C--N 1.352 0.699 0 C-N-CA 125.288 1.435 . . . . 73.41 108.213 -162.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -81.7 82.11 7.52 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.908 -1.145 . . . . 75.33 107.908 167.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -63.76 88.5 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.379 -0.828 . . . . 74.4 110.325 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.8 109.89 2.63 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 114.472 -1.24 . . . . 72.31 111.457 -170.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -98.1 127.98 44.35 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.264 -0.88 . . . . 74.34 109.755 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -65.23 140.23 58.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.05 1.34 . . . . 74.21 111.406 -173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 109.369 -0.604 . . . . 72.21 109.369 169.719 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 111.14 0.052 . . . . 75.44 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.94 95.54 0.34 Allowed Glycine 0 C--N 1.348 1.237 0 CA-C-O 119.636 -0.536 . . . . 73.32 112.508 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 53.8 tptt -65.69 97.58 0.33 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 123.326 0.65 . . . . 64.53 110.219 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 28' ' ' ILE . 4.2 t -90.74 129.92 40.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.642 -0.873 . . . . 73.12 108.642 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG11 HD12 ' A' ' 37' ' ' ILE . 54.9 t -126.76 125.73 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 108.453 -0.943 . . . . 72.55 108.453 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HB3' HG22 ' A' ' 30' ' ' THR . 58.7 t80 -106.13 108.61 20.21 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.166 0.586 . . . . 61.22 109.742 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.7 tp -94.17 120.86 35.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.793 -1.188 . . . . 74.32 107.793 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.475 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 47.7 t -127.16 160.91 29.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.38 0.609 . . . . 55.45 110.571 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.19 -26.1 14.67 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.701 -1.136 . . . . 74.45 110.531 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.7 143.42 51.24 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.441 0.696 . . . . 73.43 111.207 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.49 -46.47 86.0 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.449 1.1 . . . . 74.13 113.224 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 101' ' ' LYS . 48.1 mt-10 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.894 -0.41 . . . . 73.12 109.894 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 52' ' ' LYS . 19.5 mm -48.67 -51.55 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 O-C-N 124.321 1.013 . . . . 64.12 111.85 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -54.79 -48.43 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.101 0.961 . . . . 70.05 111.201 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.65 -36.62 81.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.874 0.869 . . . . 74.31 112.03 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 17.3 mm-40 -68.48 -47.38 67.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 74.13 111.604 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.567 HG13 HG11 ' A' ' 108' ' ' VAL . 69.2 t -70.11 -36.83 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.662 -0.699 . . . . 74.23 111.033 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -62.09 -47.07 86.29 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.57 0.748 . . . . 63.32 110.885 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -66.33 -47.36 73.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.464 0.706 . . . . 74.01 110.881 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.6 tppt? -55.39 -53.08 60.73 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.756 0.66 . . . . 70.42 110.502 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.89 88.97 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.576 0.548 . . . . 55.42 112.19 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.2 -49.05 73.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.846 0.858 . . . . 62.52 110.88 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.85 -33.99 75.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.734 -0.666 . . . . 62.32 112.067 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 19.1 mm-40 -80.72 -21.43 41.21 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.347 0.259 . . . . 75.12 111.272 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.18 9.54 59.24 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 114.481 0.552 . . . . 64.01 114.481 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -74.34 132.71 42.28 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 117.526 0.663 . . . . 65.43 109.937 172.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.02 105.47 17.84 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 112' ' ' LEU . 14.4 mt -121.13 119.79 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 122.885 0.474 . . . . 74.51 110.173 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.1 tp60 -82.86 110.43 17.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.563 -0.903 . . . . 60.12 108.563 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 6' ' ' PHE . 36.3 p -97.18 138.01 35.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.898 0.479 . . . . 63.22 109.747 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 t -149.96 163.76 37.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.884 0.874 . . . . 72.44 109.806 -175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.55 -30.16 4.91 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.06 0.944 . . . . 62.44 109.16 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.25 109.36 7.68 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.411 0.684 . . . . 72.43 110.41 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -67.37 -30.62 70.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.282 0.633 . . . . 73.13 112.055 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -61.05 -42.55 98.69 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.344 0.658 . . . . 71.13 110.957 -172.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.9 tp10 -57.82 -52.14 66.69 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.307 1.005 . . . . 74.31 109.733 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.489 HD12 HG11 ' A' ' 5' ' ' VAL . 36.8 mm -66.01 -39.31 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.749 -1.114 . . . . 74.14 112.213 -171.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HG3' ' A' ' 65' ' ' GLN . 91.4 mt -59.52 -41.56 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.322 1.049 . . . . 71.24 109.977 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 31.0 t70 -75.86 -26.57 57.24 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.354 -0.839 . . . . 72.41 111.397 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 52.4 mtp85 -72.69 -33.11 66.27 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 109.781 -0.452 . . . . 64.32 109.781 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 mt -68.59 -31.31 70.4 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.883 -0.599 . . . . 63.12 109.963 172.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 8.9 mtpm? -66.46 -34.18 77.36 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.492 0.717 . . . . 62.34 111.474 169.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 60.5 mtt180 -77.32 -7.24 55.69 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.294 0.637 . . . . 63.43 111.33 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 63.76 17.91 10.79 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.397 1.079 . . . . 74.42 110.506 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -68.71 -28.81 67.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.527 . . . . 71.24 112.144 -168.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.489 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.4 mt -100.49 124.16 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.385 -0.825 . . . . 74.32 110.166 -170.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 8.3 t70 -84.6 -37.68 20.83 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.839 0.855 . . . . 74.02 110.411 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 19.4 ptm -151.41 140.2 20.85 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.658 -1.156 . . . . 75.52 109.067 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.489 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.6 tt -140.21 141.39 33.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.629 0.772 . . . . 65.43 109.367 -172.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 74' ' ' LEU . 64.6 mt -126.04 118.0 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.072 -1.085 . . . . 73.44 108.072 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 62' ' ' ILE . 35.8 t -108.13 109.72 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 123.267 0.627 . . . . 74.22 109.435 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 13' ' ' ILE . 23.4 tptp -96.93 109.36 22.11 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.375 -0.972 . . . . 64.15 108.375 170.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.488 HG22 HG12 ' A' ' 51' ' ' VAL . 9.2 t -169.28 157.03 7.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.66 0.784 . . . . 75.24 109.735 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -102.09 -5.57 24.34 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.683 0.793 . . . . 74.13 109.023 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.41 109.26 14.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.537 0.735 . . . . 74.03 109.971 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -59.54 -31.84 69.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.007 1.323 . . . . 75.41 112.564 -174.465 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.359 0.664 . . . . 65.22 111.191 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 m -63.11 -47.9 80.82 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.921 0.391 . . . . 74.41 110.041 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 75' ' ' ILE . 87.6 mt -58.26 -49.13 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 114.858 -1.064 . . . . 73.55 110.622 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 26.2 t -57.05 -56.01 27.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.105 0.962 . . . . 50.45 111.712 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 27.4 mm-40 -59.69 -49.83 76.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.446 0.698 . . . . 61.31 111.653 -174.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.1 -48.19 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 118.9 -0.572 . . . . 65.43 110.864 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 90.7 mt -55.44 -45.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 123.206 0.316 . . . . 74.35 110.646 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 60' ' ' SER . 92.8 mttt -55.88 -45.17 78.63 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.922 0.764 . . . . 74.44 110.93 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 38' ' ' ILE . 25.8 mm-40 -67.99 -32.84 73.53 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.105 -0.952 . . . . 74.21 111.99 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 73' ' ' VAL . 92.0 t -74.64 -35.66 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.28 0.632 . . . . 72.21 110.63 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.8 mt -59.91 -37.53 79.7 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.046 0.539 . . . . 72.24 109.642 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.18 -42.25 80.22 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.133 -0.94 . . . . 71.32 111.34 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 t -88.78 -13.16 40.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.059 0.544 . . . . 54.44 112.157 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 22.58 75.84 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 114.135 0.414 . . . . 64.02 114.135 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -81.5 164.42 21.99 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 71.41 111.585 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -79.03 124.42 28.26 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.446 -0.946 . . . . 74.32 108.446 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.635 ' HB ' HG11 ' A' ' 66' ' ' VAL . 4.7 p -121.84 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.989 0.423 . . . . 71.23 110.775 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.556 HD13 ' HG3' ' A' ' 94' ' ' GLU . 27.5 tp -118.96 120.87 38.55 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.53 -0.915 . . . . 64.44 108.53 173.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 95' ' ' THR . 50.4 mm -100.66 114.88 40.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.843 -0.799 . . . . 64.13 108.843 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 98.3 mt -108.87 120.05 41.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.252 -1.018 . . . . 64.2 108.252 175.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -139.23 141.68 37.87 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.961 -0.755 . . . . 72.33 108.961 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.0 m -66.67 -26.88 67.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.333 0.653 . . . . 71.51 111.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.15 119.42 34.6 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 121.723 0.773 . . . . 73.35 110.403 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.502 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 12.1 pt-20 -75.11 -14.21 60.55 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.161 -0.927 . . . . 54.31 111.429 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.17 -27.69 38.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.963 -0.384 . . . . 71.31 109.963 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HE2' ' A' ' 56' ' ' LYS . 78.3 mt -62.28 -54.61 31.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 N-CA-C 107.413 -1.328 . . . . 75.11 107.413 165.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 95' ' ' THR . 41.2 mm -50.67 -47.05 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 O-C-N 124.498 1.124 . . . . 63.44 111.595 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.89 -39.26 83.67 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.31 0.644 . . . . 74.55 112.029 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.9 p -71.11 -33.49 70.19 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.725 0.297 . . . . 62.41 111.286 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.587 HG22 HG11 ' A' ' 93' ' ' VAL . 41.8 mm -68.65 -33.34 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.314 0.646 . . . . 64.42 110.246 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -69.54 -41.36 76.04 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.637 0.775 . . . . 75.32 112.136 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -73.68 -36.8 65.34 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 117.866 0.303 . . . . 73.53 110.914 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.55 -48.28 41.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.926 0.49 . . . . 74.54 110.373 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . 48.2 m-85 -115.68 101.01 54.15 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.367 -0.975 . . . . 72.15 108.367 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -65.25 -32.77 50.88 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.365 2.043 . . . . 73.32 113.956 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -102.74 6.82 39.64 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.037 0.754 . . . . 73.23 113.037 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 HG22 ' A' ' 86' ' ' ILE . 10.6 p -76.76 145.33 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.955 -0.387 . . . . 71.51 109.955 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HG3' HD13 ' A' ' 74' ' ' LEU . 11.9 tp10 -92.86 132.95 36.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.62 -0.881 . . . . 63.43 108.62 172.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.4 p -144.23 152.83 41.38 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.403 0.681 . . . . 32.44 109.513 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' A' ' 118' ' ' LEU . 69.8 ttt180 -160.47 139.12 10.27 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 49.9 ttp180 -68.75 129.72 40.74 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.507 -0.923 . . . . 70.23 108.507 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -144.65 107.29 4.43 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.072 -1.085 . . . . 71.41 108.072 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -94.54 -54.26 3.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.686 . . . . 73.41 110.015 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.0 t70 -95.91 154.99 16.94 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.753 -0.658 . . . . 71.51 110.185 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.6 pttm -60.89 -29.79 69.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.016 1.326 . . . . 72.22 112.558 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.1 pt-20 -69.92 -42.04 73.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.354 0.409 . . . . 73.24 111.039 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.79 -33.32 75.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.028 0.531 . . . . 75.41 111.526 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 13' ' ' ILE . 99.2 t -72.41 -51.48 28.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 116.257 -0.429 . . . . 61.14 110.755 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.589 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 pttt -65.56 -31.67 72.84 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.355 0.409 . . . . 74.44 111.2 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.74 -46.49 87.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.714 0.806 . . . . 71.34 111.33 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.42 72.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.222 0.609 . . . . 73.35 111.768 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.567 HG11 HG13 ' A' ' 17' ' ' VAL . 71.0 t -69.19 -54.21 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.27 0.628 . . . . 72.14 109.934 174.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.69 -49.25 65.68 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.169 0.988 . . . . 74.31 111.472 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.91 -43.72 98.16 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.877 -1.056 . . . . 73.24 111.014 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.51 -37.86 87.69 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.814 0.846 . . . . 74.44 110.974 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 28' ' ' ILE . 72.9 mt -72.03 -42.86 65.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.989 0.916 . . . . 74.51 111.498 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -70.3 -36.79 74.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.817 0.447 . . . . 63.03 111.13 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -78.7 -1.83 36.37 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.927 0.491 . . . . 71.33 111.562 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.07 -52.88 3.22 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.288 -0.725 . . . . 71.35 111.288 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -176.31 61.79 0.1 Allowed Glycine 0 C--N 1.34 0.768 0 N-CA-C 111.232 -0.747 . . . . 74.31 111.232 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -155.6 147.92 23.75 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.086 0.554 . . . . 72.02 111.405 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' A' ' 96' ' ' ARG . 77.6 mt -127.56 -50.53 1.38 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.659 1.584 . . . . 71.54 106.789 167.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.66 152.81 39.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.046 -0.979 . . . . 75.43 110.912 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -84.83 108.98 17.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.362 -0.836 . . . . 74.32 111.81 -171.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -66.72 98.98 0.56 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.915 -1.143 . . . . 75.34 107.915 165.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -56.07 110.98 0.83 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.309 1.006 . . . . 64.22 112.368 -166.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -82.01 98.53 8.65 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.547 -0.909 . . . . 74.33 108.547 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -77.44 173.71 11.66 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.965 0.412 . . . . 75.05 111.05 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 p80 . . . . . 0 CA--C 1.553 1.06 0 C-N-CA 123.68 0.792 . . . . 74.34 109.514 179.123 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.373 -0.603 . . . . 63.1 109.373 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.4 35.14 Favored Glycine 0 C--O 1.243 0.7 0 N-CA-C 110.691 -0.964 . . . . 72.02 110.691 -173.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 52.7 tptt -161.8 108.28 1.34 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 117.151 0.476 . . . . 74.01 109.749 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.59 121.73 45.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.297 -1.001 . . . . 62.14 108.297 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.8 137.23 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.232 0.613 . . . . 71.1 109.825 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.436 ' HB3' HG22 ' A' ' 30' ' ' THR . 68.3 t80 -111.55 111.45 22.46 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.235 -0.654 . . . . 72.2 109.235 170.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 HG13 ' A' ' 37' ' ' ILE . 51.8 tp -95.83 136.37 36.33 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.757 -0.831 . . . . 72.23 108.757 171.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 41.4 t -159.58 137.92 10.48 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.703 0.801 . . . . 72.41 109.528 172.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.37 -25.92 58.08 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.5 0.72 . . . . 71.24 111.205 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.05 130.42 46.2 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.185 0.594 . . . . 72.31 109.963 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.4 tp-100 -65.21 -41.14 94.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.361 1.064 . . . . 74.45 112.222 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.53 -32.2 73.4 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.686 0.394 . . . . 71.1 110.733 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' HG2' ' A' ' 52' ' ' LYS . 28.8 mm -64.07 -48.35 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 O-C-N 123.985 0.803 . . . . 64.14 109.45 173.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 11' ' ' GLN . 92.3 mt -56.07 -42.18 71.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-N 114.565 -1.198 . . . . 72.25 110.222 178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 48.5 mt-10 -70.37 -34.4 72.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.913 0.885 . . . . 74.43 111.786 -175.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.4 mm-40 -63.9 -47.8 79.16 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.499 0.499 . . . . 62.33 110.879 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 105' ' ' LYS . 97.4 t -71.01 -43.61 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.172 -0.922 . . . . 52.21 111.176 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -63.76 -44.01 94.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.435 1.094 . . . . 55.52 111.136 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 24.7 tptp -64.22 -48.01 77.5 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 123.769 0.668 . . . . 74.24 111.192 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -70.22 -32.76 70.78 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.6 0.563 . . . . 75.13 111.331 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -35.93 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.896 -0.593 . . . . 53.13 110.074 173.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.7 -44.38 86.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.515 0.726 . . . . 64.54 110.307 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 9.0 mm-40 -57.14 -42.98 82.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.406 0.682 . . . . 50.03 111.755 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -92.11 -10.82 37.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.94 -0.573 . . . . 73.44 112.453 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.37 21.39 73.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.937 -0.368 . . . . 52.41 113.659 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.27 111.89 4.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.755 0.822 . . . . 74.42 110.074 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 87.58 2.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.277 0.631 . . . . 71.41 109.503 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.31 123.42 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.203 -0.908 . . . . 73.03 109.645 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -82.5 119.88 24.78 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.407 -0.96 . . . . 75.43 108.407 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.1 p -100.37 142.45 31.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.189 0.595 . . . . 63.35 110.116 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 37' ' ' ILE . 35.9 t -147.84 153.12 38.74 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.758 0.823 . . . . 73.1 109.606 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 8' ' ' SER . 39.8 t-20 -104.88 -45.3 4.6 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.399 1.08 . . . . 63.31 108.904 171.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.63 111.4 7.75 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.638 0.775 . . . . 73.24 110.531 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 58' ' ' SER . 0.0 OUTLIER -69.4 -21.99 63.73 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.521 -0.763 . . . . 71.22 112.217 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -65.3 -38.81 91.37 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.079 0.399 . . . . 51.42 110.512 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.65 -47.84 84.46 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.235 1.014 . . . . 43.42 110.355 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.501 HG13 HD13 ' A' ' 7' ' ' LEU . 42.8 mm -59.39 -52.6 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 114.455 -1.248 . . . . 74.42 111.963 -175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 91.3 mt -60.14 -36.52 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 73.53 110.274 -177.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 17.9 t70 -62.62 -46.9 86.11 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.31 1.006 . . . . 60.4 110.873 175.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.3 -31.13 70.34 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.895 0.478 . . . . 74.3 110.989 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 94.9 mt -68.55 -34.27 75.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.366 0.666 . . . . 72.25 110.862 174.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 66.5 mttm -58.49 -40.06 81.75 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.318 0.647 . . . . 73.51 110.517 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 45.7 mtt180 -88.21 -7.72 56.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.959 -1.019 . . . . 73.42 111.48 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER 63.1 30.99 16.08 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.488 1.115 . . . . 75.53 109.664 -175.06 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -66.72 -30.25 70.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.582 0.753 . . . . 73.14 110.873 174.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' A' ' 41' ' ' LEU . 49.6 mt -102.28 127.6 55.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.776 0.83 . . . . 73.32 109.292 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 23.4 t70 -95.85 -33.69 12.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.63 0.772 . . . . 42.31 111.063 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 20.7 ptm -151.38 137.61 18.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.697 0.799 . . . . 75.4 108.962 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 12.9 tt -142.72 149.4 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.164 0.507 . . . . 74.34 110.687 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.634 HD13 ' HA ' ' A' ' 108' ' ' VAL . 70.6 mt -127.78 116.46 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.105 -1.072 . . . . 71.24 108.105 176.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 62' ' ' ILE . 57.4 t -107.55 111.98 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.197 0.999 . . . . 74.04 110.02 -175.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.7 tptp -103.76 107.07 17.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.73 -0.841 . . . . 71.53 108.73 171.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.7 t -171.35 162.63 6.81 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.909 0.883 . . . . 52.45 108.654 172.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -101.91 -4.67 25.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.578 0.751 . . . . 73.2 110.038 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -70.94 92.02 0.9 Allowed 'General case' 0 C--N 1.348 0.524 0 N-CA-C 109.214 -0.661 . . . . 60.12 109.214 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -55.67 -31.77 62.68 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.321 1.048 . . . . 63.0 112.419 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.9 mt-10 -60.95 -47.49 86.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.878 0.871 . . . . 72.31 111.434 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 78.1 p -69.61 -51.78 31.93 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.217 -0.29 . . . . 75.22 110.217 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 75' ' ' ILE . 86.5 mt -46.53 -55.37 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 124.635 1.209 . . . . 74.12 111.285 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -54.06 -51.89 62.64 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 124.766 1.291 . . . . 73.14 111.19 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 47.8 mm-40 -61.64 -41.78 97.98 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.918 0.761 . . . . 72.4 111.774 -176.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.48 -51.01 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 123.473 0.483 . . . . 72.45 109.996 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 59.7 mt -59.13 -45.23 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 123.737 0.648 . . . . 74.3 110.703 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -55.86 -44.09 77.72 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.972 0.909 . . . . 73.01 110.447 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 37.8 mm-40 -68.44 -35.16 77.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.752 -1.113 . . . . 72.41 111.251 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.493 HG21 ' HB ' ' A' ' 73' ' ' VAL . 57.1 t -71.3 -30.5 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.442 0.697 . . . . 73.53 110.673 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 85.4 mt -66.72 -40.21 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.102 0.561 . . . . 62.24 109.868 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.09 -41.76 73.65 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.49 0.716 . . . . 53.35 111.363 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB2' ' HG2' ' A' ' 44' ' ' ARG . 79.8 p -79.72 -25.02 41.25 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.191 0.597 . . . . 75.32 111.194 -173.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.15 43.88 69.44 Favored Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.245 -0.742 . . . . 72.11 111.245 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.45 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -100.29 -173.58 2.46 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.996 0.918 . . . . 62.32 110.604 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.3 mppt? -105.28 145.19 31.02 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.562 -0.903 . . . . 51.24 108.562 169.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 7.7 p -145.67 137.3 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 122.835 0.454 . . . . 74.41 111.191 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.34 133.2 56.25 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.124 -1.065 . . . . 75.11 108.124 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 59' ' ' ILE . 39.8 mm -111.57 117.76 55.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.057 -0.72 . . . . 74.33 109.057 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.8 mt -116.57 126.32 53.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.476 1.11 . . . . 64.4 108.434 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.41 ' H ' HD11 ' A' ' 83' ' ' ILE . 11.8 m -145.25 144.37 30.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.794 -1.187 . . . . 71.1 107.794 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -67.77 -42.75 81.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.749 0.42 . . . . 72.33 110.317 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.02 119.26 18.95 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.648 0.779 . . . . 54.24 111.188 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.81 69.49 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.2 1.0 . . . . 51.3 112.371 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -62.61 -41.93 99.28 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.285 0.634 . . . . 73.31 110.112 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' HG12 ' A' ' 86' ' ' ILE . 73.2 mt -72.36 -43.53 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.19 -0.914 . . . . 74.44 110.455 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.635 HG22 ' HE ' ' A' ' 87' ' ' ARG . 39.9 mm -60.5 -41.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.4 0.28 . . . . 64.22 110.981 176.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.6 -45.63 93.28 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.579 0.752 . . . . 75.05 110.45 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.628 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 54.3 m -58.91 -46.53 87.7 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 123.86 0.725 . . . . 74.54 111.657 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 82' ' ' ILE . 32.8 mm -67.74 -32.38 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 122.694 0.398 . . . . 74.33 110.81 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.635 ' HE ' HG22 ' A' ' 83' ' ' ILE . 51.5 mtm180 -69.9 -40.84 75.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.824 0.45 . . . . 75.21 112.05 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.1 pttt -81.86 -33.87 30.4 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 111.617 0.228 . . . . 65.01 111.617 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.84 -36.76 59.52 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.973 0.416 . . . . 65.2 110.222 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 93' ' ' VAL . 58.9 m-85 -133.04 95.3 18.95 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 124.007 0.923 . . . . 70.34 109.141 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.74 -26.72 11.2 Favored 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 121.987 1.791 . . . . 73.32 113.068 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.88 1.94 50.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.448 0.699 . . . . 73.22 112.784 -171.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 9.1 p -92.72 148.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.058 0.543 . . . . 74.05 109.941 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -78.58 134.57 37.21 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 108.958 -0.756 . . . . 73.31 108.958 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 75' ' ' ILE . 12.1 p -141.64 148.14 38.7 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.872 0.869 . . . . 75.51 109.657 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -158.87 141.29 14.07 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.976 0.91 . . . . 71.14 108.738 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -71.03 126.27 29.12 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.738 -0.838 . . . . 75.52 108.738 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.59 103.49 4.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.206 -1.035 . . . . 60.35 108.206 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -96.6 -42.33 8.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.872 0.869 . . . . 75.21 110.243 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -92.04 149.8 21.32 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.992 -0.744 . . . . 72.51 108.992 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.488 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -62.8 -25.68 68.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.97 0.908 . . . . 74.22 112.236 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.45 -44.18 83.49 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 109.148 -0.686 . . . . 70.02 109.148 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.33 -36.44 71.15 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 123.49 0.716 . . . . 72.22 111.031 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 108' ' ' VAL . 39.3 t -65.71 -58.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 124.23 0.956 . . . . 64.35 110.447 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.556 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.3 pttt -64.63 -32.36 73.99 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.791 0.682 . . . . 75.22 111.503 -174.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.24 -55.17 36.95 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 123.432 0.458 . . . . 73.34 110.841 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.69 71.0 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.879 0.737 . . . . 72.24 111.766 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.634 ' HA ' HD13 ' A' ' 50' ' ' ILE . 53.6 t -62.36 -55.98 20.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.783 0.833 . . . . 75.24 109.861 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 42.9 tt0 -64.2 -37.06 86.13 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.536 -0.757 . . . . 63.03 110.941 -176.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.04 -37.83 88.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.5 0.72 . . . . 73.01 110.474 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' HA ' ' O ' ' A' ' 117' ' ' SER . 65.0 t80 -63.72 -35.82 81.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.481 0.712 . . . . 64.53 109.937 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 68.1 mt -72.14 -40.71 67.87 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.068 -0.969 . . . . 72.11 110.957 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.562 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 99.3 mttt -61.21 -41.14 96.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.703 0.801 . . . . 75.24 112.441 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 117' ' ' SER . 14.0 mm-40 -83.78 9.61 11.48 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.868 0.467 . . . . 64.23 112.088 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 69.2 46.25 58.49 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 112.379 -0.288 . . . . 70.43 112.379 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.19 37.75 9.67 Favored Glycine 0 C--N 1.342 0.881 0 O-C-N 123.675 0.279 . . . . 62.22 113.116 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.538 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 59.8 m -155.08 170.64 21.33 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.268 0.627 . . . . 55.05 110.167 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.3 mt -121.51 179.57 4.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.992 0.917 . . . . 72.53 108.716 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.44 103.24 12.73 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.951 -1.022 . . . . 73.31 108.327 165.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -66.21 133.74 51.27 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.764 -1.199 . . . . 74.12 107.764 168.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -86.16 50.5 2.0 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.966 0.889 . . . . 74.21 109.88 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -134.97 37.32 3.03 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.789 1.635 . . . . 61.35 107.825 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -63.54 86.66 0.03 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 123.91 0.884 . . . . 74.35 108.885 175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -98.5 2.87 48.04 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.687 -1.142 . . . . 61.33 110.897 -168.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 123.977 0.911 . . . . 73.43 108.839 176.563 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 109.331 -0.618 . . . . 54.03 109.331 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.39 73.36 1.6 Allowed Glycine 0 C--N 1.346 1.128 0 O-C-N 123.825 0.703 . . . . 73.43 113.87 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -78.51 104.49 9.15 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 109.066 -0.716 . . . . 74.13 109.066 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 28' ' ' ILE . 20.2 t -88.27 129.75 38.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 108.166 -1.05 . . . . 64.54 108.166 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.6 t -122.07 114.21 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 108.702 -0.851 . . . . 75.34 108.702 171.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' THR . 75.6 t80 -92.84 104.26 16.53 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.518 0.675 . . . . 64.33 109.412 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.3 tp -101.89 131.07 48.47 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.913 1.285 . . . . 73.21 108.72 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 62.0 m -151.58 155.48 38.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.0 0.52 . . . . 74.21 111.734 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.11 -41.48 17.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.419 1.088 . . . . 71.14 111.052 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.61 134.83 34.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.162 0.585 . . . . 73.03 110.405 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -71.24 -41.18 70.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.137 0.975 . . . . 72.44 112.516 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.73 -36.2 71.72 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.12 0.568 . . . . 74.42 110.268 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.641 HD12 HG21 ' A' ' 104' ' ' VAL . 48.6 mm -62.63 -53.13 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 114.902 -1.045 . . . . 52.54 110.473 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.82 -44.79 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.33 1.052 . . . . 74.03 110.885 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.11 -45.43 85.16 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.12 111.804 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 20.6 mm-40 -65.49 -42.4 92.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.716 0.806 . . . . 74.32 112.032 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.22 -37.79 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 115.874 -0.603 . . . . 71.3 111.141 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -64.87 -35.73 82.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.733 0.813 . . . . 65.53 110.852 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -66.57 -42.69 86.65 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.209 -0.905 . . . . 74.33 110.057 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -65.24 -38.53 90.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.115 -0.493 . . . . 74.41 111.269 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -62.25 -30.59 71.22 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 71.52 111.195 177.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.64 -54.68 8.39 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 65.1 111.183 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.06 -45.96 89.74 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.201 1.0 . . . . 73.2 112.069 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.81 -23.91 59.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.522 0.729 . . . . 75.13 110.992 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.43 32.01 52.74 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.349 -0.387 . . . . 53.43 113.135 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.05 140.41 47.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.296 0.638 . . . . 61.43 110.03 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -87.73 85.55 7.07 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.034 -0.728 . . . . 62.25 109.034 173.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 21' ' ' ALA . 24.5 mt -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 115.606 -0.725 . . . . 62.5 109.649 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 5' ' ' VAL . 59.2 tp60 -91.82 114.54 27.11 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 107.922 -1.14 . . . . 64.51 107.922 165.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 6' ' ' PHE . 43.8 p -97.06 146.15 25.29 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.294 -0.632 . . . . 50.14 109.294 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -160.15 162.1 33.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.158 0.583 . . . . 74.42 110.904 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' SER . 24.2 t-20 -112.42 -47.38 3.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.384 1.074 . . . . 72.3 109.631 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.15 98.66 1.37 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.605 -1.179 . . . . 64.11 111.019 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 7.7 ptpp? -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.835 -1.075 . . . . 73.23 113.484 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.35 -22.22 63.77 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.345 0.403 . . . . 72.45 111.074 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 8.2 tp10 -67.34 -43.65 81.03 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.695 0.798 . . . . 64.13 109.904 170.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -77.62 -35.02 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.104 . . . . 75.13 111.748 -175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 65' ' ' GLN . 71.2 mt -58.98 -34.65 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.567 1.147 . . . . 73.33 109.712 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 14.7 t70 -63.7 -36.81 85.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.711 0.805 . . . . 73.21 110.801 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 36' ' ' GLU . 64.6 mtt85 -81.59 -23.67 36.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.642 . . . . 71.11 111.575 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.69 -31.92 68.98 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.229 0.611 . . . . 75.55 110.107 168.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 55.1 mtpt -70.22 -29.1 65.84 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.047 0.939 . . . . 74.53 110.736 172.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 75.5 mtt180 -78.32 -15.77 58.4 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 71.41 111.048 174.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 24.12 13.66 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.297 1.039 . . . . 74.24 111.041 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -99.34 10.68 40.95 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.52 0.728 . . . . 71.44 112.433 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.97 129.54 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 108.402 -0.962 . . . . 65.42 108.402 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -84.0 -47.39 11.03 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.603 0.716 . . . . 71.14 110.098 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 ptm -145.49 137.41 25.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.042 -0.981 . . . . 65.14 109.384 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 tt -131.02 145.74 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.921 0.888 . . . . 74.12 109.213 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 108' ' ' VAL . 61.6 mt -123.83 132.06 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.683 1.193 . . . . 71.33 107.939 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.23 109.93 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.969 -0.752 . . . . 74.23 108.969 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 25.3 tptp -108.02 107.48 18.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.577 0.703 . . . . 74.2 109.148 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -150.99 -161.37 1.32 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.075 -1.454 . . . . 72.42 107.075 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -146.09 33.04 1.0 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -132.63 113.09 12.61 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.504 0.722 . . . . 64.34 109.898 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -58.64 -31.06 67.77 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.412 1.085 . . . . 75.23 112.498 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.97 -48.03 59.91 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.635 0.774 . . . . 74.55 110.719 -173.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.676 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . 46.0 p -66.72 -40.33 88.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.717 0.807 . . . . 60.32 111.073 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 75' ' ' ILE . 92.2 mt -54.63 -48.25 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 O-C-N 124.283 0.989 . . . . 74.33 110.202 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.4 t -59.74 -35.55 74.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.773 1.229 . . . . 72.24 111.962 -174.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.39 -48.83 73.97 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.222 0.609 . . . . 72.43 111.199 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.8 mp -61.2 -44.94 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 115.509 -0.769 . . . . 74.53 109.79 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 60.4 mt -58.74 -40.92 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 123.658 0.599 . . . . 64.12 110.96 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' SER . 64.2 mttp -56.2 -47.27 78.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.34 110.061 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HG3' HG23 ' A' ' 38' ' ' ILE . 33.6 mm-40 -65.24 -33.25 75.54 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 115.193 -0.912 . . . . 71.42 111.686 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.624 HG11 ' HB ' ' A' ' 73' ' ' VAL . 95.7 t -79.45 -22.95 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.3 0.64 . . . . 64.11 110.904 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.8 mt -70.73 -34.09 71.52 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.246 -0.65 . . . . 73.35 109.246 173.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -73.0 -38.95 66.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.901 0.88 . . . . 73.22 111.777 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 70.8 p -85.72 -32.73 21.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.829 0.452 . . . . 61.23 111.805 -175.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.81 26.01 65.84 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.883 -0.599 . . . . 43.24 113.037 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.8 172.02 14.34 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.748 0.819 . . . . 55.34 111.534 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -83.59 120.67 26.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.95 -1.129 . . . . 65.32 107.95 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' HG11 ' A' ' 66' ' ' VAL . 6.1 p -118.02 132.77 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.875 0.47 . . . . 74.44 110.251 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.41 129.41 56.55 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.264 -1.013 . . . . 64.04 108.264 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.592 HD12 HG23 ' A' ' 59' ' ' ILE . 36.6 mm -115.45 108.55 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.583 -0.895 . . . . 64.44 108.583 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.5 mt -104.05 124.08 48.4 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.221 1.008 . . . . 64.11 108.635 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.3 m -139.13 148.18 42.9 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.679 -0.86 . . . . 75.04 108.679 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -83.4 10.53 8.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.104 0.562 . . . . 72.53 112.269 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.49 130.04 36.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.253 0.621 . . . . 72.13 110.394 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.35 -35.15 78.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.711 1.204 . . . . 73.53 113.04 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -76.99 -32.95 57.59 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.884 0.474 . . . . 54.54 110.416 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 56' ' ' LYS . 52.7 mt -66.88 -47.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.621 0.768 . . . . 64.43 109.81 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 30.3 mm -56.24 -44.17 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.404 0.681 . . . . 73.34 110.038 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.1 -41.23 99.33 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.994 0.917 . . . . 61.23 111.366 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.467 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.8 m -60.26 -44.39 95.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.22 0.608 . . . . 71.3 111.028 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 HG11 ' A' ' 93' ' ' VAL . 47.7 mm -69.39 -31.23 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.635 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 21.3 mtm180 -69.58 -42.43 74.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.127 0.571 . . . . 74.54 112.266 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 62.0 pttt -80.93 -36.7 30.66 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.865 0.32 . . . . 75.24 111.865 -174.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.19 -40.46 71.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.87 0.468 . . . . 72.42 110.677 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 93' ' ' VAL . 12.3 m-85 -122.18 101.84 40.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 108.308 -0.997 . . . . 71.24 108.308 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.14 -32.81 26.6 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.321 2.014 . . . . 75.35 113.563 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -102.41 15.18 29.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.007 0.743 . . . . 73.21 113.007 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.55 HG11 HG22 ' A' ' 86' ' ' ILE . 14.7 p -85.37 146.73 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.577 -0.527 . . . . 72.41 109.577 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -91.26 114.17 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.741 -1.207 . . . . 64.13 107.741 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.2 p -118.37 152.95 34.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.223 0.609 . . . . 73.43 109.828 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -160.04 134.51 7.58 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.185 -1.043 . . . . 73.44 108.185 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.09 138.83 54.64 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.188 -0.671 . . . . 71.21 109.188 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.525 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.88 116.71 6.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.114 -1.439 . . . . 71.12 107.114 173.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -96.27 -57.28 2.37 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.124 0.488 . . . . 74.24 109.847 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 t70 -91.93 159.72 15.62 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.519 -0.764 . . . . 54.14 110.509 -176.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.83 -32.83 73.19 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.159 1.384 . . . . 70.3 112.578 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.1 pt-20 -67.81 -41.01 83.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.636 0.775 . . . . 73.02 110.435 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.1 -40.39 93.56 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.702 0.801 . . . . 65.12 110.842 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.641 HG21 HD12 ' A' ' 13' ' ' ILE . 57.9 t -67.07 -51.64 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.881 0.738 . . . . 72.5 111.176 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 59.1 pttt -68.52 -32.16 71.91 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.172 0.434 . . . . 74.21 112.172 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -65.57 -38.21 88.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.402 0.281 . . . . 73.21 111.218 170.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.58 95.0 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.338 0.655 . . . . 40.41 110.749 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 57.2 t -62.63 -48.86 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.124 0.97 . . . . 62.51 110.034 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 31.1 tt0 -55.72 -46.42 77.73 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.921 -1.036 . . . . 55.54 111.034 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.11 -35.53 69.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.508 0.723 . . . . 75.41 111.934 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.12 -34.41 74.94 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.538 0.735 . . . . 62.14 109.941 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 34.3 mt -83.77 -45.14 13.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.683 -0.689 . . . . 75.32 112.235 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 63.0 mttm -64.46 -32.92 74.75 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 120.672 0.273 . . . . 74.34 111.67 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -95.91 -19.49 19.5 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.152 0.581 . . . . 72.34 111.121 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.56 10.45 79.54 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.402 0.439 . . . . 73.04 113.388 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -177.12 -103.84 0.17 Allowed Glycine 0 C--N 1.343 0.961 0 N-CA-C 111.179 -0.768 . . . . 71.42 111.179 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 p -57.77 119.53 6.82 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.13 0.972 . . . . 72.23 113.445 -174.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 118' ' ' LEU . 3.2 mp -86.24 -29.78 22.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.439 1.096 . . . . 72.44 109.826 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.03 -161.77 0.77 Allowed 'General case' 0 C--O 1.243 0.755 0 C-N-CA 125.824 1.65 . . . . 63.13 110.247 -173.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 71.95 -66.17 0.31 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.505 1.522 . . . . 64.4 108.413 -166.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 140.93 54.41 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.339 0.655 . . . . 64.41 110.689 174.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 63.44 23.82 13.86 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.732 1.213 . . . . 71.44 111.684 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -116.13 104.6 11.71 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.657 -0.868 . . . . 74.31 108.657 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 96.07 0.18 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.325 1.05 . . . . 71.13 111.27 -174.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.9 m80 . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.847 0.859 . . . . 74.23 108.803 172.802 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.465 -0.569 . . . . 74.23 109.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.62 -175.16 18.13 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 110.867 -0.893 . . . . 73.33 110.867 172.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 53.4 tptt -167.68 111.36 0.66 Allowed 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.624 0.37 . . . . 75.21 110.416 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.41 118.52 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.927 -1.138 . . . . 54.25 107.927 170.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 37' ' ' ILE . 77.5 t -119.74 134.44 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.551 0.741 . . . . 74.42 109.5 175.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.5 t80 -107.86 117.29 33.73 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.007 -0.738 . . . . 71.21 109.007 165.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 58.9 tp -102.78 138.07 40.15 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.78 -0.822 . . . . 73.52 108.78 172.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.432 ' HB3' HG12 ' A' ' 14' ' ' ILE . 40.1 t -156.31 161.6 40.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.488 0.715 . . . . 70.43 109.575 172.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HA ' ' OD1' ' A' ' 32' ' ' ASN . 34.6 t70 -99.85 -29.71 12.45 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.489 0.661 . . . . 73.52 110.148 174.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.44 116.08 21.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.681 -1.145 . . . . 73.44 109.003 -171.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -54.39 -49.37 70.05 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.819 0.847 . . . . 74.52 112.942 -172.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.86 -54.62 42.38 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.916 0.76 . . . . 65.01 110.237 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 HG11 ' A' ' 104' ' ' VAL . 29.9 mm -46.55 -49.08 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 124.723 1.264 . . . . 60.12 113.294 176.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 8' ' ' SER . 68.0 mt -57.21 -47.16 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.161 0.584 . . . . 74.14 110.205 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.13 -27.27 62.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.999 0.92 . . . . 73.11 112.199 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.612 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 10.7 mm-40 -74.6 -44.01 52.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.451 0.7 . . . . 75.3 110.928 -178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG13 HG11 ' A' ' 108' ' ' VAL . 97.0 t -75.32 -33.16 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.382 -0.826 . . . . 71.03 110.47 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -68.38 -42.59 78.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.126 0.57 . . . . 74.3 110.717 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -60.3 -46.87 88.34 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.411 -0.589 . . . . 73.23 109.411 175.722 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 28.5 ttmt -67.37 -29.04 68.46 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.661 -0.699 . . . . 71.32 111.718 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.89 99.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.481 0.313 . . . . 74.11 110.251 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.54 -50.02 60.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.013 0.525 . . . . 74.42 111.253 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.52 -48.25 77.63 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.466 1.106 . . . . 75.11 112.035 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -81.33 -20.07 41.48 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.303 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.32 6.29 68.83 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-O 119.633 -0.537 . . . . 64.34 113.189 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.69 129.15 38.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.557 0.743 . . . . 74.45 110.226 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -79.12 89.39 4.83 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.492 -0.929 . . . . 72.51 108.492 168.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.2 116.89 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.142 -0.688 . . . . 73.45 109.142 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.45 107.46 8.73 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.738 -0.838 . . . . 62.24 108.738 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 6' ' ' PHE . 10.8 p -97.39 126.66 42.77 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.277 0.631 . . . . 63.12 109.54 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -148.35 159.34 44.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.173 0.589 . . . . 64.44 111.124 -167.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 9' ' ' ASP . 42.7 t30 -114.52 -9.19 12.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.388 1.075 . . . . 65.14 109.073 170.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 37' ' ' ILE . 11.0 m-20 -77.28 77.54 3.81 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.721 0.808 . . . . 74.03 110.027 -176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -59.87 -36.34 76.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.71 0.804 . . . . 64.4 109.915 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.93 -44.24 90.13 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.029 0.932 . . . . 72.32 110.965 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 25.4 tt0 -63.52 -45.05 92.42 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.629 0.581 . . . . 60.23 109.762 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.512 HD12 HG11 ' A' ' 5' ' ' VAL . 36.1 mm -64.25 -41.66 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.749 -0.66 . . . . 60.11 111.187 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.6 mt -58.21 -40.59 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.717 0.807 . . . . 74.53 110.339 174.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.85 -40.46 91.73 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.439 1.096 . . . . 72.24 111.193 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 23.9 mtp180 -73.13 -28.49 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.243 0.617 . . . . 73.33 110.685 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 46' ' ' ILE . 76.4 mt -73.36 -29.4 62.62 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.756 0.822 . . . . 74.12 110.738 173.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 97.1 mttt -66.55 -29.79 69.95 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.139 0.576 . . . . 75.1 110.592 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -81.56 -16.85 50.4 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.36 -0.836 . . . . 74.4 110.665 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 66.34 20.78 11.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.779 1.231 . . . . 72.22 111.319 -174.528 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -81.36 1.01 34.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.012 0.925 . . . . 72.24 112.479 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 66.3 mt -111.4 123.35 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 71.03 109.151 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.565 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 14.4 t70 -84.07 -36.36 23.1 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.817 0.847 . . . . 73.2 111.46 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.612 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 17.9 ptm -153.79 144.76 22.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.601 -0.727 . . . . 71.41 110.084 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.6 tt -142.88 145.13 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.495 0.718 . . . . 74.12 110.593 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.531 HD12 HG13 ' A' ' 108' ' ' VAL . 62.1 mt -128.31 122.54 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 108.088 -1.079 . . . . 63.14 108.088 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 62' ' ' ILE . 62.1 t -115.37 122.1 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.964 0.906 . . . . 61.32 110.347 -175.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.7 111.69 20.95 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.649 0.78 . . . . 73.44 110.036 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.417 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.8 t -170.48 166.13 8.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.293 1.037 . . . . 61.02 108.936 172.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -104.27 1.3 30.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.07 0.548 . . . . 72.35 110.142 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.24 88.84 1.52 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.748 -1.205 . . . . 75.54 107.748 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.9 mtpt -56.35 -34.12 66.32 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.485 1.114 . . . . 73.22 112.874 -176.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 44.5 mt-10 -63.09 -50.14 71.72 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.955 0.784 . . . . 63.14 110.614 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.4 p -66.51 -47.24 73.6 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.438 0.461 . . . . 74.14 110.798 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.522 HG23 HD12 ' A' ' 75' ' ' ILE . 86.4 mt -49.32 -51.36 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.131 0.894 . . . . 74.31 110.014 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -56.0 -47.96 76.78 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.445 -1.252 . . . . 75.03 111.902 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 13.8 mm-40 -61.84 -49.3 76.83 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.59 0.556 . . . . 72.22 110.963 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.496 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -54.01 -48.11 64.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 O-C-N 123.919 0.762 . . . . 65.11 110.752 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.8 mt -61.22 -42.1 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 122.672 0.389 . . . . 73.24 110.92 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.15 -41.61 79.48 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.245 0.618 . . . . 74.51 110.285 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 20.4 mm-40 -65.97 -40.04 90.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.265 -0.88 . . . . 72.34 110.602 176.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' A' ' 71' ' ' ALA . 98.5 t -73.65 -26.51 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.789 0.836 . . . . 64.13 111.832 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 93.3 mt -65.83 -42.11 90.97 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.583 -0.895 . . . . 64.14 108.583 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.03 -32.46 67.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.518 -1.219 . . . . 52.22 110.865 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.647 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 9.5 t -82.36 -35.28 27.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.563 0.745 . . . . 42.42 111.735 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.71 27.48 58.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 116.062 -0.517 . . . . 44.55 113.508 -174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -87.53 162.41 17.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.538 0.735 . . . . 34.31 111.445 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.9 mppt? -83.79 111.17 18.95 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.151 -0.685 . . . . 75.1 109.151 173.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HG23 ' A' ' 93' ' ' VAL . 5.4 p -112.26 129.35 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.164 0.586 . . . . 74.13 111.137 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.507 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.0 tp -115.81 123.29 47.82 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.497 -0.927 . . . . 73.21 108.497 171.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' A' ' 95' ' ' THR . 42.1 mm -102.69 126.73 56.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 123.461 0.704 . . . . 73.24 109.31 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -123.56 132.96 54.03 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 124.82 1.248 . . . . 73.21 108.181 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -151.29 148.14 27.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 51.4 108.096 175.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -68.1 -16.24 63.93 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.069 0.548 . . . . 74.5 111.224 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -112.42 128.74 56.4 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.097 0.559 . . . . 65.42 111.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 12.5 pt-20 -80.84 -11.94 59.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.962 0.905 . . . . 64.11 112.851 -175.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -84.16 -31.39 25.18 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.102 -0.703 . . . . 60.32 109.102 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 56' ' ' LYS . 71.8 mt -65.57 -47.75 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.804 -0.813 . . . . 72.42 108.804 167.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.524 HG23 ' HB ' ' A' ' 95' ' ' THR . 24.8 mm -56.2 -39.98 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.416 -0.811 . . . . 65.2 111.395 174.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.67 -41.05 84.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.293 0.637 . . . . 75.12 111.169 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.8 m -58.56 -40.14 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.428 0.632 . . . . 55.33 110.664 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 93' ' ' VAL . 33.2 mm -70.94 -36.08 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 114.74 -1.118 . . . . 51.13 110.946 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.01 -44.2 89.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.174 0.589 . . . . 74.51 111.859 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.89 -34.49 29.96 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.707 0.403 . . . . 70.14 111.769 -170.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.2 -33.59 59.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.707 0.403 . . . . 74.41 111.002 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.59 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.7 m-85 -129.55 91.93 39.48 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.42 -0.956 . . . . 74.45 108.42 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.19 -25.66 36.9 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.216 1.944 . . . . 73.43 114.478 -175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -97.95 13.61 30.17 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.948 0.721 . . . . 75.24 112.948 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 73' ' ' VAL . 13.0 p -90.79 142.36 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 109.874 -0.417 . . . . 75.3 109.874 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -83.24 127.53 33.71 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.273 -1.01 . . . . 74.1 108.273 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 75' ' ' ILE . 68.3 p -132.49 156.95 45.85 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.105 0.562 . . . . 73.21 110.686 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -160.2 132.35 6.23 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.33 -0.989 . . . . 63.24 108.33 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.55 120.17 22.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.607 -0.886 . . . . 74.23 108.607 170.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.63 106.75 5.73 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.671 -1.233 . . . . 71.2 107.671 -172.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -93.72 -46.68 7.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.576 0.75 . . . . 71.42 110.177 -170.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 145.35 32.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.851 -1.068 . . . . 73.43 109.869 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 53.8 pttt -64.77 -28.92 69.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.885 0.874 . . . . 71.22 111.688 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -66.28 -41.76 89.39 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.634 -0.712 . . . . 72.13 110.235 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.88 -32.3 72.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.841 0.856 . . . . 73.53 112.321 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.462 HG11 HG23 ' A' ' 13' ' ' ILE . 80.6 t -72.44 -53.79 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.835 0.454 . . . . 61.32 110.752 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.612 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.5 pttt -66.21 -29.31 69.54 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.028 0.205 . . . . 74.12 110.863 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.17 -47.62 85.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.929 0.891 . . . . 74.31 111.182 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.61 81.04 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.347 0.659 . . . . 52.2 111.297 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HD12 ' A' ' 50' ' ' ILE . 82.6 t -65.15 -59.2 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.466 -0.788 . . . . 52.01 109.676 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.539 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 26.3 tt0 -47.82 -48.94 30.4 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.498 1.519 . . . . 73.41 111.629 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.58 -50.45 71.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 113.792 -1.549 . . . . 73.41 111.212 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -57.03 -32.7 66.44 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.326 1.05 . . . . 54.4 111.348 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 40.4 mt -78.38 -39.27 39.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.22 -0.9 . . . . 73.43 111.529 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 65.4 mttm -71.71 -28.48 63.72 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.767 0.427 . . . . 64.44 111.034 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.76 8.01 39.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.131 0.973 . . . . 75.01 111.204 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.96 -64.9 3.56 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 116.406 -0.361 . . . . 60.31 112.749 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.555 ' HA3' ' HG2' ' A' ' 72' ' ' LYS . . . -175.87 44.16 0.12 Allowed Glycine 0 C--N 1.339 0.716 0 N-CA-C 111.99 -0.444 . . . . 71.13 111.99 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.0 p -159.54 131.64 6.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.409 0.684 . . . . 54.23 109.835 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.9 -14.6 59.49 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 119.686 -0.197 . . . . 73.12 111.068 171.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.05 103.64 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 108.319 -0.993 . . . . 73.4 108.319 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -68.9 144.69 54.13 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.818 -1.083 . . . . 65.52 111.454 -166.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -83.61 63.71 7.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.947 0.879 . . . . 74.41 109.235 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -91.89 74.0 5.67 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 114.636 -1.165 . . . . 61.45 109.125 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -94.29 -21.92 18.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.314 -0.857 . . . . 75.11 110.64 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.15 120.68 16.21 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.726 -0.472 . . . . 74.24 109.726 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.1 m80 . . . . . 0 C--O 1.253 1.237 0 N-CA-C 108.218 -1.03 . . . . 72.31 108.218 176.744 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.414 -0.587 . . . . 71.13 109.414 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.32 40.37 1.78 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 111.366 -0.694 . . . . 53.4 111.366 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.76 108.8 14.73 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.363 1.065 . . . . 73.54 111.39 -176.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -92.59 134.02 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.148 -1.056 . . . . 70.04 108.148 164.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 29' ' ' GLN . 58.4 t -126.78 126.91 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.266 0.626 . . . . 74.22 109.437 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 30' ' ' THR . 66.0 t80 -102.17 113.89 27.55 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.879 0.472 . . . . 74.24 110.473 174.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -95.97 147.27 23.86 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.116 -1.068 . . . . 74.23 108.116 166.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 43.6 t -154.35 171.66 18.93 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.011 0.524 . . . . 63.33 110.177 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.87 -35.25 6.7 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.814 1.246 . . . . 63.43 110.211 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.53 ' HB2' HG12 ' A' ' 13' ' ' ILE . 1.1 m-20 -94.71 130.79 41.07 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 73.41 109.517 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.19 -39.9 93.5 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.895 0.878 . . . . 72.14 111.79 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -50.5 -52.9 34.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.16 0.984 . . . . 64.52 110.952 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 104' ' ' VAL . 32.5 mm -53.7 -50.95 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 114.298 -1.319 . . . . 64.31 111.944 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 30' ' ' THR . 78.8 mt -54.52 -45.93 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.951 0.9 . . . . 71.05 110.575 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.5 -31.21 68.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.057 -0.974 . . . . 60.22 111.98 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 72.2 mm-40 -74.29 -38.66 63.32 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.823 0.449 . . . . 72.11 111.982 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG13 HG11 ' A' ' 108' ' ' VAL . 78.9 t -71.19 -36.49 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 122.841 0.456 . . . . 73.43 110.252 177.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -69.6 -35.94 75.75 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.462 0.705 . . . . 70.11 111.116 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -59.87 -51.99 67.35 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.434 1.094 . . . . 62.15 110.633 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 26.0 ttmt -69.96 -33.05 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.699 -0.682 . . . . 62.43 111.09 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -61.9 -37.21 83.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.747 0.419 . . . . 74.42 111.135 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.83 -54.67 17.22 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.981 0.912 . . . . 73.14 110.357 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.86 -37.12 86.21 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.102 0.961 . . . . 74.03 112.357 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -91.36 -9.27 45.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.662 0.785 . . . . 71.55 112.165 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.56 69.63 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.138 0.274 . . . . 52.4 113.498 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.8 m-85 -77.68 135.44 38.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.37 0.668 . . . . 74.3 111.252 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 101.99 7.88 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.465 -0.939 . . . . 64.13 108.465 166.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 21' ' ' ALA . 34.4 mt -135.38 137.28 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 108.831 -0.803 . . . . 64.25 108.831 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.537 ' HG2' HH22 ' A' ' 40' ' ' ARG . 6.7 tp-100 -107.19 114.36 28.35 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.35 -0.982 . . . . 74.33 108.35 171.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 6' ' ' PHE . 26.2 p -96.5 147.23 24.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.815 0.446 . . . . 74.13 110.752 -174.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 37' ' ' ILE . 38.4 t -159.48 166.34 31.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.673 0.789 . . . . 63.21 111.165 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -124.87 -5.67 7.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.05 1.34 . . . . 61.21 110.741 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -104.51 111.45 24.13 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.882 -0.512 . . . . 61.23 110.228 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -57.86 -40.81 81.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.1 0.96 . . . . 61.51 112.163 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -80.26 -23.74 40.59 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.871 0.468 . . . . 74.2 110.708 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.7 tp10 -57.29 -55.73 31.0 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.38 -0.971 . . . . 61.42 108.38 167.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 31' ' ' SER . 40.9 mm -63.8 -45.76 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 113.654 -1.612 . . . . 73.11 112.05 -174.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 ' HG3' ' A' ' 65' ' ' GLN . 87.5 mt -57.15 -41.5 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.118 0.967 . . . . 64.3 110.669 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 12.6 t70 -68.74 -33.74 74.44 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 123.708 0.63 . . . . 74.3 110.859 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.537 HH22 ' HG2' ' A' ' 29' ' ' GLN . 19.9 mtp180 -76.88 -29.39 55.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.683 0.793 . . . . 73.53 111.056 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.549 HD23 ' HB ' ' A' ' 46' ' ' ILE . 81.5 mt -64.18 -40.1 95.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.595 0.758 . . . . 44.11 109.352 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.24 -33.68 76.56 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.876 0.87 . . . . 71.12 111.645 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 93.5 mtt180 -71.13 -11.62 61.04 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.536 0.734 . . . . 71.45 111.114 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 67.35 20.98 9.89 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.283 1.433 . . . . 70.53 110.493 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -23.9 40.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.131 0.972 . . . . 55.24 112.347 -174.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.549 ' HB ' HD23 ' A' ' 41' ' ' LEU . 32.0 mt -100.33 117.16 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.828 -0.434 . . . . 75.01 109.828 -174.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.47 -35.21 17.15 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.2 1.0 . . . . 73.35 111.211 -176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -151.33 144.04 24.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.384 -0.825 . . . . 61.54 109.054 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -142.47 148.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.464 0.706 . . . . 72.14 110.245 -170.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -132.63 120.92 43.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 107.93 -1.137 . . . . 73.01 107.93 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 62' ' ' ILE . 58.8 t -117.65 120.01 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.707 0.803 . . . . 63.11 110.624 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.604 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.9 tptp -106.72 105.11 14.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.603 0.761 . . . . 71.33 109.736 174.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 51' ' ' VAL . 8.8 t -168.68 162.15 11.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.334 0.653 . . . . 64.45 110.444 175.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -103.12 -4.77 24.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.691 0.797 . . . . 61.21 111.004 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.4 96.72 4.73 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 109.053 -0.721 . . . . 73.41 109.053 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.7 mtpt -60.61 -28.36 68.45 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.884 -1.053 . . . . 70.05 112.759 -175.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -65.74 -42.64 90.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.887 0.475 . . . . 63.33 110.481 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -63.9 -52.28 60.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.171 0.588 . . . . 74.31 109.709 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 75' ' ' ILE . 75.4 mt -53.45 -47.96 58.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 124.799 1.312 . . . . 74.14 110.886 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.0 -54.65 40.31 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.39 1.056 . . . . 72.33 111.073 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.6 -39.77 95.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.681 0.613 . . . . 71.22 112.447 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.562 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -58.8 -55.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 109.555 -0.535 . . . . 64.12 109.555 175.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 HG13 ' A' ' 75' ' ' ILE . 81.4 mt -60.69 -37.37 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 123.901 0.751 . . . . 55.23 110.943 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -57.0 -47.0 81.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.794 0.684 . . . . 64.45 110.234 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 38' ' ' ILE . 39.5 mm-40 -75.41 -17.72 60.11 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.786 0.679 . . . . 64.21 112.264 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.591 HG11 ' HB ' ' A' ' 73' ' ' VAL . 93.2 t -77.37 -34.85 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.308 0.643 . . . . 75.35 109.965 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 84.8 mt -70.29 -35.58 73.8 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.447 -0.946 . . . . 74.5 108.447 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 11.0 t70 -61.93 -39.76 93.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.769 1.227 . . . . 74.51 110.877 170.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.5 m -76.92 -28.14 55.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.99 0.367 . . . . 50.15 111.99 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.55 42.11 93.75 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 111.108 -0.797 . . . . 75.25 111.108 -167.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.588 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -105.78 173.57 6.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.632 1.173 . . . . 50.13 110.765 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 140.6 29.52 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.876 -0.787 . . . . 74.05 108.876 174.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.68 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -138.05 133.76 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.511 0.672 . . . . 70.23 111.165 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' A' ' 50' ' ' ILE . 26.7 tp -117.46 124.14 48.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.943 1.297 . . . . 74.13 108.021 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.571 HG13 HD11 ' A' ' 63' ' ' ILE . 48.3 mm -108.02 117.29 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.226 -0.657 . . . . 73.2 109.226 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 82.8 mt -108.02 134.29 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.233 -1.025 . . . . 74.12 108.233 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.8 t -155.6 142.1 18.67 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.762 -0.829 . . . . 71.33 108.762 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.5 m -59.19 -36.87 76.12 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.082 0.864 . . . . 65.53 111.216 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 20.5 t70 -90.68 122.54 33.54 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.476 0.71 . . . . 72.13 110.744 -174.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.43 -24.67 61.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.307 1.043 . . . . 53.55 112.255 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -71.94 -35.5 69.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.782 -0.822 . . . . 75.35 108.782 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' HG12 ' A' ' 86' ' ' ILE . 89.5 mt -67.83 -51.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 O-C-N 124.357 1.036 . . . . 72.53 109.523 173.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 mm -51.12 -48.11 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 72.41 112.212 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.35 -27.69 52.78 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.498 -0.773 . . . . 74.33 111.639 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 t -65.74 -40.38 92.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.187 0.517 . . . . 70.35 109.631 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.5 mm -70.5 -32.75 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.988 -1.005 . . . . 65.14 110.647 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -69.96 -44.25 69.88 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.151 0.426 . . . . 71.43 112.151 174.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.36 -32.14 68.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 117.812 0.278 . . . . 63.42 111.214 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.84 -43.45 54.5 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.075 0.55 . . . . 73.24 110.899 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 93' ' ' VAL . 52.3 m-85 -123.3 96.76 43.74 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.469 0.708 . . . . 72.1 109.15 -174.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -60.84 -34.08 91.87 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.501 2.134 . . . . 71.32 113.539 177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.86 -12.86 60.04 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.318 1.229 . . . . 50.34 114.318 -171.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.68 HG23 HG13 ' A' ' 73' ' ' VAL . 10.8 p -83.46 139.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.572 0.624 . . . . 72.14 110.75 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 4.2 mm-40 -88.83 124.36 34.1 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.867 -1.16 . . . . 75.13 107.867 164.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' HB ' ' A' ' 75' ' ' ILE . 33.5 p -123.01 162.33 22.56 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.096 -0.705 . . . . 75.1 109.096 177.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -159.74 128.77 5.15 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.675 0.274 . . . . 75.12 110.432 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -61.91 116.86 5.22 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.283 0.989 . . . . 72.34 108.639 170.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.32 102.5 4.82 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.529 -1.285 . . . . 51.33 107.529 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.26 -3.42 50.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.193 -0.912 . . . . 53.33 110.814 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.82 153.87 49.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.548 -0.538 . . . . 65.33 109.548 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -68.3 -26.06 65.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.706 1.202 . . . . 73.24 112.289 -176.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 41.5 mt-10 -67.29 -49.78 62.88 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.063 0.852 . . . . 73.41 109.497 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.2 -33.83 71.44 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.592 -1.185 . . . . 73.22 112.151 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 13' ' ' ILE . 80.6 t -69.68 -57.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 122.909 0.484 . . . . 71.12 111.229 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.1 pttt -61.93 -34.65 76.46 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.481 0.488 . . . . 73.21 110.991 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -63.57 -46.39 86.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.4 0.68 . . . . 61.52 110.817 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.2 76.99 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.136 0.574 . . . . 73.33 111.004 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 54.9 t -62.22 -52.84 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.155 0.982 . . . . 61.42 109.511 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 86.2 tt0 -56.7 -53.87 52.77 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.969 0.908 . . . . 73.13 111.79 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -35.65 75.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.834 0.854 . . . . 63.12 112.223 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.07 -36.63 75.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.106 0.563 . . . . 72.43 110.394 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 63.3 mt -77.67 -31.59 52.66 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.612 0.765 . . . . 75.43 112.325 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.4 mttm -68.42 -38.64 81.41 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.006 0.431 . . . . 63.01 110.495 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -85.22 -21.33 29.16 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.616 -0.72 . . . . 74.51 111.528 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.83 -12.51 56.95 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 114.387 0.515 . . . . 44.34 114.387 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.47 36.21 0.05 OUTLIER Glycine 0 C--N 1.345 1.042 0 CA-C-N 117.234 0.517 . . . . 74.11 113.009 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.6 m -151.42 135.2 16.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.541 0.737 . . . . 63.14 109.776 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.21 -179.31 7.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.306 0.642 . . . . 60.24 110.868 172.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.18 65.35 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 114.988 -1.006 . . . . 74.14 109.61 163.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.18 -47.19 72.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 124.357 1.063 . . . . 62.33 110.554 166.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -103.75 55.25 0.74 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.597 0.713 . . . . 52.21 109.301 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -62.63 -32.37 73.39 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 114.802 -1.09 . . . . 71.02 110.426 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -141.31 -174.91 4.15 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 74.03 109.072 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -91.98 148.59 22.08 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.728 0.811 . . . . 75.3 109.863 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.2 m170 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 123.262 0.625 . . . . 73.42 110.072 179.301 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 111.623 0.231 . . . . 74.45 111.623 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.92 93.14 0.26 Allowed Glycine 0 C--N 1.35 1.335 0 N-CA-C 110.914 -0.874 . . . . 73.31 110.914 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.06 104.5 3.03 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 123.366 0.666 . . . . 75.32 111.525 -170.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.35 123.52 39.7 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 N-CA-C 107.327 -1.36 . . . . 42.21 107.327 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 29' ' ' GLN . 71.5 t -126.28 124.69 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.362 0.665 . . . . 44.13 109.653 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -99.03 111.32 23.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.172 -0.677 . . . . 72.04 109.172 170.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.507 HD13 HG13 ' A' ' 37' ' ' ILE . 61.9 tp -97.28 139.04 33.84 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.499 -0.926 . . . . 63.42 108.499 171.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -162.71 161.65 26.46 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.513 0.725 . . . . 75.23 109.848 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -99.54 -31.89 11.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.514 0.726 . . . . 53.43 109.577 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.42 113.74 17.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.3 -1.318 . . . . 75.11 109.326 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.86 -52.26 65.8 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.858 0.863 . . . . 73.13 113.01 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.14 -21.28 64.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.768 0.427 . . . . 61.21 111.552 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.606 HG21 ' HG2' ' A' ' 52' ' ' LYS . 24.3 mm -68.02 -51.47 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.555 0.742 . . . . 43.24 109.049 171.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.74 -38.72 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.981 0.913 . . . . 74.12 111.359 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.55 -40.25 92.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.672 0.789 . . . . 73.41 111.412 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 8.6 mm-40 -74.49 -32.5 62.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.659 0.784 . . . . 71.02 112.124 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.48 -35.43 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.002 0.521 . . . . 63.24 110.604 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 t -66.86 -35.59 80.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.598 0.759 . . . . 61.11 109.855 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.6 tppt? -67.96 -47.64 68.08 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.494 -0.775 . . . . 71.24 110.001 174.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.7 -43.16 89.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.613 0.765 . . . . 72.53 111.221 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -60.08 -46.14 90.56 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.108 -0.951 . . . . 64.12 110.587 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.93 -45.49 92.24 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.737 0.815 . . . . 74.01 111.415 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 mm-40 -60.68 -43.04 98.19 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 64.15 112.187 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 56.4 mm-40 -82.86 -20.27 35.87 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.13 0.419 . . . . 64.43 112.13 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.31 37.6 20.63 Favored Glycine 0 CA--C 1.534 1.243 0 O-C-N 123.185 0.303 . . . . 73.44 113.249 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.88 138.34 31.5 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.05 0.94 . . . . 73.0 110.692 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -86.01 86.78 7.35 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.076 -0.712 . . . . 75.32 109.076 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 21' ' ' ALA . 40.1 mt -109.85 125.09 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.154 -0.684 . . . . 54.54 109.154 176.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB3' HG22 ' A' ' 5' ' ' VAL . 26.5 tp60 -87.44 109.42 19.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.437 -0.949 . . . . 70.14 108.437 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -95.75 125.42 40.31 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.365 -0.606 . . . . 52.22 109.365 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -142.05 154.4 44.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.932 0.893 . . . . 75.14 110.287 -171.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -110.54 -38.23 5.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.114 0.966 . . . . 74.11 110.321 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.23 102.92 8.82 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.937 0.399 . . . . 73.32 110.246 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -69.09 -25.97 64.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.682 0.793 . . . . 74.0 111.762 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.19 -39.72 93.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.59 0.756 . . . . 61.42 110.884 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 36.5 tt0 -59.86 -48.66 80.78 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.171 -0.922 . . . . 73.02 109.8 172.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD13 ' A' ' 7' ' ' LEU . 46.0 mm -64.56 -38.32 82.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.44 -1.255 . . . . 75.54 112.145 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HG3' ' A' ' 65' ' ' GLN . 93.5 mt -59.01 -42.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.175 0.99 . . . . 75.45 110.002 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 27.7 t70 -70.07 -32.85 71.15 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.886 -1.052 . . . . 62.24 110.889 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.3 mtp180 -73.68 -31.5 63.47 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.636 0.374 . . . . 50.01 110.673 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -67.72 -32.6 73.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.064 0.546 . . . . 72.14 109.939 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.76 -36.61 84.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.89 0.476 . . . . 75.05 111.022 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 83.5 mtt180 -71.6 -12.56 61.42 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.415 0.686 . . . . 71.31 111.056 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 65.07 19.56 11.84 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.78 1.232 . . . . 71.52 109.224 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -68.18 -30.62 69.76 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.051 1.74 . . . . 71.03 111.548 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' HB ' ' A' ' 49' ' ' ILE . 41.5 mt -101.43 120.53 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.433 0.693 . . . . 42.4 109.712 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -81.01 -42.21 21.5 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.949 0.499 . . . . 73.33 110.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ptm -148.84 139.01 22.3 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.456 -0.793 . . . . 72.41 109.418 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' HB ' HG21 ' A' ' 46' ' ' ILE . 10.4 tt -137.94 146.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.241 0.616 . . . . 64.44 110.805 -169.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.0 mt -130.12 113.5 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.533 1.133 . . . . 65.03 108.401 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 62' ' ' ILE . 47.0 t -108.82 111.37 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.696 0.798 . . . . 72.54 109.895 -176.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.606 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.9 tptp -101.34 109.62 21.49 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.827 -0.805 . . . . 72.43 108.827 173.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 77' ' ' SER . 8.5 t -155.1 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.453 -0.943 . . . . 74.35 108.453 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -139.98 22.21 2.45 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.07 0.548 . . . . 65.31 110.078 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.45 114.42 22.85 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.138 -0.69 . . . . 70.1 109.138 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 82' ' ' ILE . 35.4 mtmm -58.72 -36.67 74.67 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.959 1.304 . . . . 73.41 113.497 -174.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.1 -30.63 60.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.734 0.414 . . . . 72.31 111.095 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -68.5 -44.8 73.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.997 0.519 . . . . 73.02 109.784 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 75' ' ' ILE . 91.9 mt -56.42 -49.94 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 114.586 -1.188 . . . . 72.12 110.215 176.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -57.82 -43.04 85.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.527 -1.215 . . . . 63.44 111.741 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -60.87 -47.78 84.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.932 0.493 . . . . 73.21 111.798 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -61.23 -48.16 90.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 123.494 0.497 . . . . 61.33 109.996 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 56.0 mt -55.25 -47.78 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.743 0.652 . . . . 71.31 110.791 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.73 -46.99 74.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.133 0.973 . . . . 71.22 111.558 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' HG3' HG23 ' A' ' 38' ' ' ILE . 14.7 mm100 -64.18 -41.03 97.29 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 123.969 0.793 . . . . 75.03 111.412 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 71' ' ' ALA . 69.2 t -69.42 -34.74 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.662 0.785 . . . . 73.04 111.452 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 81.1 mt -64.25 -41.57 96.89 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.228 -0.656 . . . . 73.4 109.228 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.89 -40.87 91.97 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.422 -1.263 . . . . 75.23 111.304 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -87.76 -12.74 44.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.816 0.446 . . . . 72.21 112.044 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.5 77.93 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 123.584 0.553 . . . . 73.22 113.596 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -82.57 166.15 19.48 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.278 0.631 . . . . 43.14 110.396 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -86.34 138.03 32.13 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.039 -1.097 . . . . 72.24 108.039 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -140.38 135.14 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 121.218 0.532 . . . . 72.4 111.205 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 HD11 ' A' ' 118' ' ' LEU . 18.1 tp -116.98 117.9 30.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.875 1.27 . . . . 73.41 108.427 172.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 59' ' ' ILE . 40.0 mm -96.56 111.75 27.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.109 0.964 . . . . 75.44 109.356 174.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.05 127.62 52.96 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 75.13 108.669 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' THR . 22.6 m -136.31 143.55 44.23 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.309 -0.626 . . . . 54.43 109.309 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 m -79.36 11.68 2.82 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.55 0.74 . . . . 75.21 112.105 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.11 133.81 25.19 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.302 0.572 . . . . 71.44 110.968 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.01 -35.61 78.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.776 1.23 . . . . 75.24 112.188 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -70.28 -37.58 74.87 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 56' ' ' LYS . 62.4 mt -63.91 -48.9 84.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 115.482 -0.781 . . . . 53.22 109.65 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 31.6 mm -56.42 -42.46 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 123.335 0.397 . . . . 75.33 110.783 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -59.41 -46.01 89.9 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.543 0.737 . . . . 74.34 111.801 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 p -68.55 -36.59 79.01 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.289 -0.414 . . . . 22.52 111.28 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 82' ' ' ILE . 48.5 mm -71.34 -29.85 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 122.452 0.301 . . . . 74.54 110.485 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 30.3 mtm180 -68.85 -45.09 71.98 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.809 0.444 . . . . 70.11 111.666 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.62 -36.88 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.524 0.194 . . . . 61.21 111.524 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.13 -44.99 59.43 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.172 0.51 . . . . 75.43 110.884 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.422 ' O ' HG12 ' A' ' 93' ' ' VAL . 35.9 m-85 -127.83 92.09 43.37 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.748 -0.834 . . . . 63.13 108.748 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.13 -20.07 15.02 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 121.951 1.767 . . . . 74.13 112.977 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.83 -15.48 41.79 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.259 0.836 . . . . 75.11 113.259 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -78.38 141.17 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 CA-C-N 118.422 0.556 . . . . 53.44 109.971 175.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.36 113.98 12.21 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.266 -0.642 . . . . 74.14 109.266 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.3 p -119.68 136.88 54.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.242 0.617 . . . . 62.21 109.717 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.699 HH11 ' HB2' ' A' ' 107' ' ' ALA . 43.9 ttt180 -144.97 129.54 18.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.721 -0.844 . . . . 63.31 108.721 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 120.14 17.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.999 -0.741 . . . . 63.41 108.999 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.59 118.15 8.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.501 -1.296 . . . . 60.32 107.501 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.65 -59.19 1.78 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.403 0.62 . . . . 75.12 109.464 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.55 157.01 24.94 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.763 -1.108 . . . . 64.01 110.246 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.1 pttp -55.89 -34.95 66.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.327 1.451 . . . . 53.22 112.916 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -70.87 -39.61 72.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 123.677 0.61 . . . . 73.42 110.616 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.95 -34.15 76.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.531 0.732 . . . . 63.35 111.287 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 13' ' ' ILE . 69.5 t -74.77 -51.5 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.949 -0.569 . . . . 72.22 110.976 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 64.9 pttt -64.57 -34.14 77.56 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.205 0.315 . . . . 74.43 111.313 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.28 -43.54 88.02 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.805 1.242 . . . . 73.1 111.549 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.699 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -66.97 -38.44 86.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.645 0.778 . . . . 74.1 111.501 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 79.2 t -62.35 -55.03 26.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 123.932 0.893 . . . . 72.35 110.582 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.96 -41.79 71.55 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.494 1.118 . . . . 62.21 111.346 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.76 -47.78 74.05 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.974 0.91 . . . . 72.24 111.461 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -58.41 -37.82 76.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.636 1.174 . . . . 73.13 111.09 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.2 mt -77.63 -44.05 29.49 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.935 -1.03 . . . . 73.34 112.451 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.5 -32.71 70.3 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 111.965 0.358 . . . . 52.13 111.965 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -90.06 22.69 3.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.027 0.531 . . . . 55.12 110.937 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.45 -78.64 1.83 Allowed Glycine 0 C--N 1.353 1.494 0 N-CA-C 112.305 -0.318 . . . . 75.43 112.305 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.56 48.53 0.57 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 111.521 -0.631 . . . . 73.33 111.521 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 65.6 p -161.97 156.48 22.38 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.214 0.605 . . . . 71.42 111.371 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.468 HD11 HD22 ' A' ' 74' ' ' LEU . 1.6 mp -121.58 89.79 3.19 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 106.153 -1.795 . . . . 75.41 106.153 164.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.82 98.86 0.96 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 108.567 -0.901 . . . . 75.14 108.567 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -52.04 -34.89 45.3 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 124.903 1.281 . . . . 72.43 112.633 -166.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -115.41 100.96 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 106.722 -1.584 . . . . 74.2 106.722 165.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -71.79 -156.92 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.358 1.063 . . . . 74.54 111.479 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -52.34 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.111 0.964 . . . . 74.52 111.697 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -142.78 15.28 1.95 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.515 1.526 . . . . 75.31 109.114 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 124.297 1.039 . . . . 75.11 109.065 174.215 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.999 -0.371 . . . . 52.54 109.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.74 89.04 0.07 OUTLIER Glycine 0 C--N 1.35 1.347 0 N-CA-C 111.847 -0.501 . . . . 74.11 111.847 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.651 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 53.4 tptt -150.63 93.26 1.94 Allowed 'General case' 0 C--O 1.24 0.567 0 N-CA-C 107.63 -1.248 . . . . 73.42 107.63 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 t -88.36 119.54 35.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.888 -1.153 . . . . 75.0 107.888 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 29' ' ' GLN . 89.2 t -122.24 111.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 108.797 -0.816 . . . . 74.42 108.797 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 30' ' ' THR . 79.7 t80 -89.41 109.77 20.65 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 173.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 51' ' ' VAL . 61.0 tp -94.4 140.87 29.25 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.83 -1.174 . . . . 73.34 107.83 170.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.5 t -151.46 164.57 36.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.37 -0.604 . . . . 73.05 109.37 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 2.96 12.99 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.807 0.843 . . . . 70.42 109.269 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -126.7 121.72 32.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.734 1.214 . . . . 63.45 109.114 -167.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.06 -55.77 16.9 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.1 1.148 . . . . 74.35 114.1 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.76 -38.72 56.64 Favored 'General case' 0 N--CA 1.499 2.017 0 C-N-CA 123.698 0.799 . . . . 43.41 111.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.675 HD12 HG21 ' A' ' 104' ' ' VAL . 40.6 mm -55.28 -55.51 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.975 -1.466 . . . . 73.25 111.214 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.28 -37.17 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.614 1.166 . . . . 65.1 111.179 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -65.42 -37.69 87.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.161 0.984 . . . . 74.51 110.772 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 12.7 mm-40 -80.0 -37.57 33.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.091 -0.959 . . . . 43.55 112.19 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.37 -35.4 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.832 0.453 . . . . 73.22 110.239 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -70.08 -32.42 70.49 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.571 0.748 . . . . 74.21 110.5 175.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -60.97 -54.72 41.49 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.526 0.73 . . . . 73.22 109.915 172.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -56.12 -44.95 79.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.525 1.13 . . . . 73.4 111.301 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -66.06 -37.92 87.05 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.132 -0.94 . . . . 75.14 111.731 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.7 -49.48 46.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.738 0.415 . . . . 73.11 110.809 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.56 -50.13 72.79 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.76 0.824 . . . . 61.41 111.662 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -83.35 -14.72 52.25 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.576 -0.738 . . . . 54.5 111.839 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.93 18.57 72.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.254 0.346 . . . . 41.51 113.526 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -67.27 121.5 15.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.715 0.806 . . . . 75.32 110.25 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.47 105.9 10.05 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.983 -0.747 . . . . 72.25 108.983 172.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 21' ' ' ALA . 53.5 mt -133.69 126.32 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.121 0.969 . . . . 74.5 109.113 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HB3' HG22 ' A' ' 5' ' ' VAL . 21.5 tp60 -83.1 108.83 16.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.087 -0.709 . . . . 74.21 109.087 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 21.4 p -98.16 126.63 43.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.394 -0.595 . . . . 63.35 109.394 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 m -150.27 165.25 33.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.921 0.888 . . . . 71.14 110.354 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m120 -116.79 -22.12 8.71 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.9 0.88 . . . . 62.33 110.552 173.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.2 m-20 -68.63 86.07 0.31 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.367 0.667 . . . . 74.11 109.736 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -32.88 73.21 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.92 0.488 . . . . 72.22 109.723 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -62.24 -42.32 99.21 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.435 1.094 . . . . 64.43 111.495 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.8 tt0 -65.08 -45.6 84.59 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.872 0.732 . . . . 64.5 110.063 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 33' ' ' ASP . 37.2 mm -68.96 -37.13 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.62 -0.263 . . . . 64.31 111.363 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HE3' ' A' ' 42' ' ' LYS . 96.4 mt -60.14 -40.12 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.11 0.964 . . . . 74.35 109.492 171.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 13.9 t70 -63.91 -37.61 88.02 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.67 1.188 . . . . 75.2 111.233 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 25.6 mtp180 -77.07 -28.96 54.85 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.726 0.81 . . . . 71.03 110.853 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.6 mt -68.95 -33.14 73.22 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.901 0.88 . . . . 35.3 110.258 171.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HE3' HG22 ' A' ' 38' ' ' ILE . 99.0 mttt -66.2 -32.49 73.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.412 0.685 . . . . 73.32 110.614 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 77.4 mtt180 -74.54 -9.67 58.8 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.498 0.719 . . . . 72.51 111.125 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 65.96 17.72 10.88 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.028 1.331 . . . . 74.02 110.8 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.26 -26.66 47.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.53 1.132 . . . . 74.04 111.579 -168.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HB ' HD23 ' A' ' 41' ' ' LEU . 53.8 mt -91.56 124.9 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.134 -0.939 . . . . 74.25 109.463 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.651 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 13.9 t70 -87.14 -38.82 16.08 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.161 0.984 . . . . 61.4 110.22 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.414 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 12.5 ptp -151.03 146.2 26.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.971 -1.013 . . . . 73.01 109.436 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.0 tt -140.15 140.93 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.622 0.769 . . . . 71.14 109.23 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG21 HG22 ' A' ' 108' ' ' VAL . 46.8 mt -129.27 111.88 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.361 -0.977 . . . . 74.03 108.361 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 7' ' ' LEU . 46.1 t -111.45 117.19 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.441 0.697 . . . . 53.15 111.051 -174.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.3 tptp -101.84 109.56 21.34 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.9 0.88 . . . . 52.44 108.941 169.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -166.56 157.04 12.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.546 0.738 . . . . 73.44 109.343 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -93.59 -6.96 45.38 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.793 0.837 . . . . 72.43 109.928 173.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.04 94.09 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.881 -1.155 . . . . 71.23 107.881 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -57.05 -33.13 66.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.921 1.289 . . . . 74.02 112.965 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -75.08 -32.02 61.37 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.191 0.596 . . . . 72.22 110.687 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 t -63.01 -54.12 43.33 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.53 -0.915 . . . . 71.54 108.53 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.21 -48.79 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.926 1.391 . . . . 74.01 110.612 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.6 t -54.15 -55.84 23.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 73.45 111.454 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 42.7 mm-40 -62.52 -43.32 99.09 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.755 0.66 . . . . 65.1 111.802 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.504 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -53.6 -56.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 O-C-N 123.958 0.787 . . . . 65.4 110.029 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.5 mt -60.7 -40.83 86.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 124.045 0.84 . . . . 73.43 110.395 -174.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -54.04 -47.88 71.12 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.808 0.843 . . . . 72.12 110.952 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm100 -62.39 -42.17 99.22 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.646 0.591 . . . . 73.53 110.559 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.54 HG13 ' HB3' ' A' ' 71' ' ' ALA . 81.3 t -62.97 -38.28 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.751 1.22 . . . . 74.41 111.571 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 77.6 mt -67.1 -29.52 69.29 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.632 0.773 . . . . 61.11 110.945 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.61 -41.5 23.85 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.466 -0.788 . . . . 75.21 110.584 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.2 m -78.88 -12.66 60.04 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.031 0.752 . . . . 54.42 113.031 -169.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.77 52.51 28.87 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.644 -0.583 . . . . 50.12 111.644 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -124.75 171.45 10.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.347 1.059 . . . . 34.43 110.182 -175.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' HA2' ' A' ' 116' ' ' GLY . 3.5 mppt? -96.16 149.22 21.88 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.555 -0.906 . . . . 75.22 108.555 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.582 HG13 HG23 ' A' ' 93' ' ' VAL . 5.8 p -142.3 131.95 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.13 0.572 . . . . 44.41 110.357 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 45.9 tp -120.11 117.68 28.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.712 1.205 . . . . 73.35 108.48 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 63' ' ' ILE . 46.5 mm -106.22 123.22 60.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 123.204 0.602 . . . . 72.3 109.673 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 mt -117.63 132.96 56.42 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.999 1.319 . . . . 72.41 107.86 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.0 t -156.87 151.53 25.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.704 . . . . 72.11 109.12 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.3 p -95.64 9.7 39.35 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.249 1.02 . . . . 72.14 111.515 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 82' ' ' ILE . 16.6 t70 -118.81 128.53 54.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.842 0.457 . . . . 75.44 110.607 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.82 -51.24 66.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.88 1.272 . . . . 72.43 112.234 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.57 -37.36 85.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.639 0.775 . . . . 72.31 110.179 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 86' ' ' ILE . 71.1 mt -68.23 -55.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 115.192 -0.913 . . . . 71.25 110.315 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 29.1 mm -51.3 -48.97 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 123.961 0.788 . . . . 64.13 110.475 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -57.8 -48.72 78.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.239 0.962 . . . . 74.11 111.585 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.472 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.4 m -56.02 -45.52 79.09 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.923 0.764 . . . . 75.42 110.937 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.532 HG22 HG11 ' A' ' 93' ' ' VAL . 23.4 mm -66.64 -34.28 69.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-N 115.496 -0.775 . . . . 74.53 111.191 -175.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 60.0 mtm180 -67.03 -55.83 12.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 120.868 0.366 . . . . 70.34 110.771 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 60.5 pttt -72.41 -24.34 61.22 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.11 -0.496 . . . . 73.35 112.182 -170.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -80.49 -42.08 23.16 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.077 0.551 . . . . 71.5 111.128 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' VAL . 68.2 m-85 -120.6 108.23 37.65 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 123.063 0.545 . . . . 73.43 110.548 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.42 -29.01 11.61 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.573 2.182 . . . . 64.45 113.318 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -78.47 -15.24 58.84 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.179 0.807 . . . . 74.15 113.179 -175.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.582 HG23 HG13 ' A' ' 73' ' ' VAL . 11.2 p -81.39 137.02 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.648 0.261 . . . . 63.24 110.726 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 66.0 mm-40 -85.92 129.44 34.83 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 107.604 -1.258 . . . . 63.11 107.604 162.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.0 p -122.83 154.08 38.73 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.949 -0.76 . . . . 62.31 108.949 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 69.6 ttt180 -151.37 122.88 7.9 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.319 -1.363 . . . . 75.44 107.319 170.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -66.15 125.15 24.62 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.584 -0.895 . . . . 72.44 108.584 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.15 104.12 4.58 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.497 -0.927 . . . . 53.31 108.497 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -88.83 -20.82 24.17 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.815 -1.084 . . . . 55.32 109.859 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -106.31 136.56 45.82 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.578 0.751 . . . . 72.12 109.628 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 13' ' ' ILE . 43.9 pttt -61.59 -20.54 63.43 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.973 1.309 . . . . 71.33 111.906 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 22.5 mt-10 -65.4 -47.08 77.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.457 1.103 . . . . 63.23 109.411 172.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -70.3 -30.39 67.37 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.093 -1.412 . . . . 51.32 112.34 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.675 HG21 HD12 ' A' ' 13' ' ' ILE . 86.3 t -66.72 -54.42 25.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 122.893 0.477 . . . . 64.14 110.313 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.2 pttt -65.3 -32.48 74.16 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.113 0.258 . . . . 75.53 111.507 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.9 -42.69 99.87 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.763 0.825 . . . . 64.41 110.662 173.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.519 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -63.61 -38.9 92.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.539 0.736 . . . . 61.25 111.251 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 50' ' ' ILE . 85.5 t -61.52 -51.31 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.3 1.04 . . . . 72.33 110.587 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 43.2 tt0 -61.06 -47.07 88.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.563 0.745 . . . . 75.5 111.256 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -67.71 -27.38 66.76 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.72 0.808 . . . . 71.02 111.552 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 72' ' ' LYS . 47.5 t80 -69.86 -38.51 76.45 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.221 1.008 . . . . 75.14 109.37 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 99.1 mt -79.35 -29.71 42.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.878 -1.056 . . . . 60.13 113.042 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 98.9 mttt -66.62 -36.57 82.9 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.984 0.513 . . . . 74.44 110.794 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.87 -22.17 37.06 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.209 -0.905 . . . . 75.42 110.17 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.34 34.85 91.02 Favored Glycine 0 C--N 1.356 1.681 0 O-C-N 123.858 0.724 . . . . 64.53 112.996 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.451 ' HA2' ' HG2' ' A' ' 72' ' ' LYS . . . 170.1 -120.81 0.88 Allowed Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.157 -1.177 . . . . 62.33 110.157 -175.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -58.76 159.46 6.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.8 0.84 . . . . 64.31 112.018 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.97 -26.16 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 120.693 0.282 . . . . 74.32 111.3 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.62 147.72 43.26 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.43 0.633 . . . . 74.42 111.253 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -131.49 -0.1 4.0 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.198 0.999 . . . . 74.45 109.587 165.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -154.41 118.4 4.71 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.24 1.816 . . . . 64.04 107.336 168.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -70.11 81.9 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.487 -0.931 . . . . 64.1 108.487 168.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -176.74 101.89 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.282 -1.327 . . . . 73.01 109.096 -169.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -90.59 -58.86 2.34 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 106.708 -1.59 . . . . 74.05 106.708 158.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.247 0.933 0 N-CA-C 106.492 -1.67 . . . . 73.03 106.492 166.112 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.264 -0.273 . . . . 62.15 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.63 64.33 3.11 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.849 -0.5 . . . . 72.43 111.849 -175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 110.04 4.86 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.934 0.494 . . . . 70.31 110.848 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -100.2 125.71 53.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 115.327 -0.852 . . . . 51.3 109.461 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.4 t -127.24 117.75 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.587 -0.894 . . . . 21.14 108.587 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' THR . 63.9 t80 -89.75 147.01 24.09 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.344 0.592 . . . . 74.52 110.367 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.4 tp -136.59 133.09 35.97 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.954 1.301 . . . . 60.43 108.053 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.6 t -144.87 151.38 38.64 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.705 -0.85 . . . . 72.31 108.705 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.62 -11.73 53.19 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 123.741 0.651 . . . . 64.53 109.639 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.45 139.17 51.25 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.863 0.865 . . . . 64.55 111.091 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.99 -43.85 86.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.022 1.329 . . . . 70.23 112.99 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.75 -34.51 78.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.618 0.367 . . . . 73.42 110.638 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' A' ' 52' ' ' LYS . 42.7 mm -65.51 -45.04 93.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.399 -0.819 . . . . 71.42 110.034 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 30' ' ' THR . 76.9 mt -52.98 -45.31 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.578 1.151 . . . . 75.41 110.609 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.14 -29.48 62.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.662 0.785 . . . . 74.22 112.381 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 48.9 mm-40 -70.55 -42.03 71.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.036 0.534 . . . . 73.33 111.428 176.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 HG11 ' A' ' 108' ' ' VAL . 89.2 t -74.97 -33.66 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.61 0.764 . . . . 71.32 110.79 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 t -64.18 -37.67 88.29 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.433 0.693 . . . . 73.03 109.884 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.0 tppp? -64.83 -49.06 72.11 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.826 -0.624 . . . . 74.31 109.873 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 1.3 tpmt? -55.57 -37.93 68.7 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.673 0.789 . . . . 71.03 111.116 178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.56 85.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.976 -1.011 . . . . 74.0 111.083 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.54 -46.23 80.34 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.446 0.466 . . . . 65.41 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 8.0 mm-40 -56.28 -47.32 78.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.748 0.819 . . . . 74.52 112.342 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 48.3 mm-40 -93.5 -14.19 26.94 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.685 0.624 . . . . 71.13 112.685 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.43 32.31 31.35 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 122.058 -0.115 . . . . 71.2 113.173 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 112' ' ' LEU . 23.4 m-85 -88.76 133.78 34.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.233 1.013 . . . . 71.12 110.126 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -84.5 91.31 7.82 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.069 0.938 . . . . 71.22 108.866 169.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.75 103.78 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 109.078 -0.712 . . . . 71.2 109.078 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.5 tp-100 -76.31 112.8 13.19 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 14' ' ' ILE . 53.8 p -97.87 150.17 21.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.978 0.511 . . . . 64.34 110.299 -175.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -154.51 162.43 41.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.441 0.696 . . . . 71.32 110.433 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -105.58 -30.06 9.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.13 0.972 . . . . 64.01 110.19 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.08 104.18 15.44 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.331 0.586 . . . . 65.34 110.139 -173.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -63.73 -27.55 69.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.687 1.195 . . . . 71.25 112.47 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.36 -41.22 80.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.28 0.632 . . . . 72.21 111.123 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -42.91 99.36 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.374 1.07 . . . . 72.2 109.919 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.99 -37.43 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 114.726 -1.124 . . . . 64.11 111.117 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 65' ' ' GLN . 66.6 mt -56.3 -44.57 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.328 0.651 . . . . 75.11 109.909 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 38.3 t70 -66.86 -33.27 75.23 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.708 -0.678 . . . . 64.04 111.466 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -71.28 -34.32 70.56 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 75.25 111.181 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.01 -32.56 73.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.331 0.652 . . . . 70.42 110.45 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -65.96 -30.64 71.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.86 0.864 . . . . 70.0 110.939 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.0 mtt180 -80.92 -13.9 58.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.281 0.632 . . . . 71.21 110.77 173.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.558 ' HG3' ' HB2' ' A' ' 69' ' ' SER . 55.0 ttt-85 62.33 21.89 12.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.519 1.527 . . . . 73.33 111.032 -173.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.73 -24.5 63.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 71.13 111.422 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.442 HG21 ' HB ' ' A' ' 49' ' ' ILE . 32.0 mt -97.25 125.36 50.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.411 -0.959 . . . . 75.31 108.411 -175.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -78.29 -46.53 19.98 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.792 0.806 . . . . 74.23 109.987 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 11.1 ptm -145.84 129.87 17.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.253 -1.339 . . . . 72.24 109.255 -174.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.5 tt -131.66 147.27 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.054 0.942 . . . . 70.04 109.655 -169.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 108' ' ' VAL . 51.4 mt -131.11 126.13 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.99 -1.115 . . . . 62.34 107.99 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 62' ' ' ILE . 66.2 t -122.14 111.59 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.237 0.615 . . . . 74.22 109.716 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HG2' HG21 ' A' ' 13' ' ' ILE . 44.6 tptt -101.37 110.36 22.35 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.009 -0.738 . . . . 74.32 109.009 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -171.41 160.8 6.18 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.601 0.761 . . . . 71.44 109.615 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.26 -4.61 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.843 0.857 . . . . 71.12 109.782 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.65 93.35 0.7 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.924 -0.769 . . . . 54.43 108.924 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 82' ' ' ILE . 95.2 mttt -54.54 -32.16 57.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.618 1.167 . . . . 74.43 112.654 -174.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.69 -41.25 79.45 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.542 0.737 . . . . 74.35 110.758 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -63.55 -52.43 61.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.12 0.568 . . . . 51.42 109.507 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.439 HG23 HD12 ' A' ' 75' ' ' ILE . 91.5 mt -51.68 -57.18 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 114.464 -1.244 . . . . 74.02 110.642 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.5 t -59.64 -48.91 79.79 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 124.091 0.87 . . . . 43.31 111.557 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 44.1 mt-10 -60.99 -47.95 84.08 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.314 0.646 . . . . 53.34 111.578 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.5 -47.01 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.521 0.513 . . . . 73.01 110.076 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 HG13 ' A' ' 75' ' ' ILE . 99.3 mt -57.86 -44.9 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 123.607 0.567 . . . . 72.45 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 60' ' ' SER . 94.0 mttt -55.03 -42.6 72.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.244 0.618 . . . . 74.12 110.479 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.543 ' HG3' HG23 ' A' ' 38' ' ' ILE . 88.1 mm-40 -72.23 -32.55 66.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.841 -1.072 . . . . 65.53 111.918 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 59.1 t -79.17 -26.77 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 122.672 0.389 . . . . 63.45 110.477 179.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.7 mt -70.4 -41.83 72.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.012 -0.736 . . . . 71.1 109.012 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.8 -41.31 92.09 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.956 -1.02 . . . . 72.11 111.273 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.558 ' HB2' ' HG3' ' A' ' 44' ' ' ARG . 77.9 p -79.88 -22.91 42.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.281 0.232 . . . . 71.25 110.857 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.41 33.02 80.72 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.486 -0.324 . . . . 62.14 112.316 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -91.81 -174.83 3.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.729 0.812 . . . . 74.42 110.902 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 137.46 37.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.173 -0.677 . . . . 74.13 109.173 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.69 HG13 HG23 ' A' ' 93' ' ' VAL . 7.5 p -141.15 139.51 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.041 0.536 . . . . 73.34 111.547 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 107' ' ' ALA . 43.8 tp -118.92 116.91 27.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.344 1.058 . . . . 74.11 108.938 173.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 63' ' ' ILE . 41.1 mm -95.77 120.68 45.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.988 0.915 . . . . 64.42 109.576 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 104' ' ' VAL . 88.3 mt -115.37 120.56 40.01 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.324 1.05 . . . . 72.14 108.567 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m -142.2 140.63 32.41 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.128 -1.064 . . . . 52.13 108.128 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 m -69.98 -32.93 71.4 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.32 0.648 . . . . 54.35 110.622 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.54 121.97 29.0 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.119 -0.946 . . . . 61.42 111.143 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.45 -30.75 71.78 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.511 1.124 . . . . 74.14 113.148 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -71.56 -32.17 67.79 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.669 -0.493 . . . . 62.34 109.669 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.439 HG12 ' HE2' ' A' ' 56' ' ' LYS . 79.9 mt -67.53 -53.84 28.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 C-N-CA 123.373 0.669 . . . . 60.44 109.218 173.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 38.2 mm -52.82 -46.15 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.928 0.767 . . . . 75.2 110.486 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.14 -51.32 70.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.647 0.779 . . . . 65.15 111.348 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.3 m -54.95 -43.49 73.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.905 0.753 . . . . 75.23 111.633 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.514 HG22 HG11 ' A' ' 93' ' ' VAL . 45.1 mm -71.8 -32.07 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.266 -0.879 . . . . 73.0 110.779 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 50.9 mtm180 -72.74 -46.8 51.61 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.361 0.264 . . . . 73.44 111.175 176.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.78 -31.25 61.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.571 0.349 . . . . 72.41 111.768 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -85.53 -44.78 12.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.827 0.451 . . . . 64.22 110.669 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.8 m-85 -114.75 96.3 43.76 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.538 -0.912 . . . . 62.33 108.538 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.73 -37.91 19.62 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.111 1.874 . . . . 53.3 112.741 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -76.09 -2.33 30.33 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.214 1.19 . . . . 74.41 114.214 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 73' ' ' VAL . 13.8 p -89.2 147.79 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.054 0.388 . . . . 52.11 110.712 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 2.2 mp0 -85.51 121.11 27.74 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.126 -1.064 . . . . 74.25 108.126 166.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 75' ' ' ILE . 70.8 p -119.59 156.46 30.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.588 -0.523 . . . . 64.4 109.588 171.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 103' ' ' GLU . 53.0 ttt-85 -156.17 127.63 7.18 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.049 -1.463 . . . . 62.22 107.049 170.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -63.9 118.14 7.98 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.954 -1.128 . . . . 73.44 107.954 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.15 105.03 6.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.979 -1.489 . . . . 74.04 106.979 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.86 -60.34 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.996 0.81 . . . . 63.24 109.006 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.48 158.85 15.81 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.845 -0.616 . . . . 74.45 110.28 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.568 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.8 pttm -53.24 -31.11 41.76 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.158 1.783 . . . . 74.32 112.726 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.657 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.1 pt-20 -65.48 -44.99 85.39 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.413 0.445 . . . . 73.42 109.964 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HH12 ' A' ' 96' ' ' ARG . 33.5 mt-10 -64.19 -28.72 69.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.459 -0.791 . . . . 53.22 111.672 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . 60.3 t -68.26 -58.62 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.745 -0.661 . . . . 73.54 109.932 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 62.0 pttt -66.98 -33.88 76.54 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.777 0.673 . . . . 64.32 111.689 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 69.6 m-20 -56.89 -53.15 61.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.894 0.478 . . . . 64.25 110.395 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -61.45 -32.0 71.97 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.916 0.887 . . . . 74.45 111.597 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 46.6 t -61.67 -51.35 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.909 0.883 . . . . 62.12 110.161 174.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 27.9 tt0 -60.4 -43.04 97.08 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.825 0.703 . . . . 71.21 109.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 19.9 mm-40 -59.29 -47.7 84.4 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.695 0.798 . . . . 61.24 110.635 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 48' ' ' MET . 70.5 t80 -59.09 -43.07 91.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.645 1.178 . . . . 71.31 111.16 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 21.7 mt -76.95 -38.11 53.96 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.63 -0.714 . . . . 64.13 112.183 -175.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -68.12 -35.57 78.33 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.742 0.417 . . . . 74.33 110.837 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.39 -17.05 56.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.775 -0.648 . . . . 73.4 111.367 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.56 15.72 81.07 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.366 -0.379 . . . . 55.22 112.962 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.29 -96.42 0.18 Allowed Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.13 -0.788 . . . . 40.41 111.13 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.5 t -64.58 110.28 2.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 122.667 0.387 . . . . 53.41 111.432 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.1 mp -67.37 177.22 1.97 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.277 0.631 . . . . 73.12 110.494 176.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -84.52 30.47 0.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.547 0.739 . . . . 65.4 110.767 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -74.8 78.8 2.09 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 122.308 1.052 . . . . 64.52 109.765 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -61.6 136.28 57.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.656 -1.156 . . . . 64.2 109.857 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -59.65 142.72 52.38 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.028 0.83 . . . . 70.15 111.171 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -54.73 -35.19 63.43 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.617 0.767 . . . . 71.41 111.277 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -152.39 158.37 42.57 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.858 1.263 . . . . 75.03 108.801 169.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 67.8 t60 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 118.86 -0.59 . . . . 64.01 109.931 178.417 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 mtt . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.054 -0.721 . . . . 72.51 109.054 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.84 153.24 6.58 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.344 -0.844 . . . . 74.42 111.178 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 46' ' ' ILE . 2.0 tpmt? -173.45 89.41 0.08 Allowed 'General case' 0 C--O 1.242 0.684 0 N-CA-C 107.118 -1.438 . . . . 73.54 107.118 175.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -85.6 118.74 32.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.82 -1.178 . . . . 74.45 107.82 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 37' ' ' ILE . 87.9 t -121.64 119.74 59.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.28 -0.637 . . . . 50.21 109.28 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -94.7 130.92 41.02 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 171.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -126.45 127.09 44.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.572 -1.27 . . . . 71.41 107.572 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -152.62 152.58 31.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.048 0.452 . . . . 63.4 110.062 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.44 -24.83 24.04 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.089 -0.96 . . . . 70.52 109.708 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.11 135.1 34.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.44 1.096 . . . . 73.32 110.184 -171.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -67.34 -58.53 4.63 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.101 1.148 . . . . 74.3 114.101 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.01 -35.55 78.89 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 118.142 0.428 . . . . 74.03 111.312 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.665 HD12 HG21 ' A' ' 104' ' ' VAL . 38.9 mm -51.61 -53.44 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 O-C-N 124.599 1.187 . . . . 74.05 111.321 173.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.8 -39.03 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.145 0.578 . . . . 70.11 110.568 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.69 -39.21 93.28 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.563 0.745 . . . . 64.13 112.08 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 35.3 mm-40 -72.67 -42.6 64.11 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.668 0.787 . . . . 72.44 111.731 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG13 HG11 ' A' ' 108' ' ' VAL . 70.1 t -68.55 -37.59 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.779 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -60.71 -45.01 95.84 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.742 0.817 . . . . 71.21 110.532 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 4.2 tppp? -63.88 -54.46 34.53 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.069 0.856 . . . . 74.44 110.255 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -48.81 72.95 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.299 0.999 . . . . 75.23 111.223 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.97 75.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.144 -0.935 . . . . 72.33 111.267 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.34 -41.51 93.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.732 0.813 . . . . 65.41 111.428 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 32.8 mm-40 -63.93 -38.44 91.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.296 0.638 . . . . 73.42 111.34 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.31 -10.3 58.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.106 0.563 . . . . 72.24 112.303 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.26 69.58 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 114.613 0.605 . . . . 54.42 114.613 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -75.38 123.8 26.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.889 0.476 . . . . 75.03 110.051 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.04 98.13 11.59 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.686 -0.857 . . . . 75.22 108.686 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.513 HD11 HD11 ' A' ' 112' ' ' LEU . 28.6 mt -105.11 128.06 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.411 0.684 . . . . 74.12 109.354 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG22 ' A' ' 5' ' ' VAL . 30.0 tp60 -75.7 108.34 8.48 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.456 -0.942 . . . . 71.42 108.456 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.39 139.05 34.72 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.164 0.586 . . . . 72.34 109.647 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -154.03 161.59 41.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.532 0.733 . . . . 61.34 111.0 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -114.28 -35.98 4.82 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.681 1.193 . . . . 74.03 109.619 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.32 99.31 7.05 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 122.199 0.999 . . . . 71.35 109.488 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.64 -18.97 65.72 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.783 -1.098 . . . . 73.05 112.702 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -56.44 -38.52 71.73 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.464 0.706 . . . . 74.05 111.347 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.8 -46.83 70.82 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.245 0.618 . . . . 61.32 110.531 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 HG11 ' A' ' 5' ' ' VAL . 25.3 mm -71.73 -46.16 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.807 -1.088 . . . . 75.4 112.188 -169.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 65' ' ' GLN . 68.2 mt -55.28 -39.2 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.42 1.088 . . . . 70.22 110.377 173.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.25 -41.7 89.58 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.167 -0.924 . . . . 74.35 110.958 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -76.8 -23.68 52.84 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.733 0.413 . . . . 73.12 111.374 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' ' 46' ' ' ILE . 96.7 mt -61.87 -47.85 83.16 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.29 -0.633 . . . . 65.14 109.29 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.15 -28.26 69.93 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.952 0.901 . . . . 73.2 112.182 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -83.25 -9.05 59.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.189 0.596 . . . . 71.44 111.962 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 63.09 21.18 12.73 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.906 1.283 . . . . 74.44 111.28 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -79.78 -21.83 43.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.169 0.988 . . . . 63.13 111.076 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 3' ' ' LYS . 59.0 mt -93.86 130.56 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.331 0.652 . . . . 63.2 109.451 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 14.6 t70 -90.55 -44.59 9.47 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.457 0.703 . . . . 71.12 109.817 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -148.35 136.29 20.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.507 -0.77 . . . . 71.23 109.497 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 4.7 tt -134.02 133.73 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.742 0.817 . . . . 75.25 109.177 -173.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 HG22 ' A' ' 108' ' ' VAL . 64.5 mt -119.57 116.12 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.612 -1.255 . . . . 74.0 107.612 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 62' ' ' ILE . 26.0 t -108.37 133.79 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.663 0.785 . . . . 74.1 109.716 -175.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.7 tptp -123.08 106.76 11.08 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.462 -0.94 . . . . 74.14 108.462 170.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 t -157.25 144.82 18.84 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.076 -1.083 . . . . 75.42 108.076 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.06 4.62 52.69 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.492 0.717 . . . . 62.4 109.852 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.46 101.19 13.64 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.272 -0.64 . . . . 73.44 109.272 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 82' ' ' ILE . 14.6 ptmm? -60.17 -25.98 65.96 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.306 1.043 . . . . 70.35 113.519 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.1 -39.95 60.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.713 0.405 . . . . 73.11 110.927 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.2 p -72.52 -37.6 68.31 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.955 -0.387 . . . . 74.3 109.955 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 75' ' ' ILE . 80.6 mt -54.42 -50.98 53.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 O-C-N 123.812 0.695 . . . . 75.35 109.714 172.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.3 t -53.74 -45.9 70.69 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.455 1.097 . . . . 72.21 111.109 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -58.51 -51.38 70.1 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.614 0.766 . . . . 70.22 111.98 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -55.4 -50.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 123.558 0.536 . . . . 74.1 110.304 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 HG13 ' A' ' 75' ' ' ILE . 67.6 mt -60.46 -40.02 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.5 0.5 . . . . 64.01 110.956 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.5 -39.83 89.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.187 0.595 . . . . 74.45 110.543 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 38' ' ' ILE . 14.3 mm-40 -80.85 -17.04 52.03 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.805 -0.634 . . . . 73.43 111.763 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 94.7 t -83.91 -25.41 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.492 0.717 . . . . 71.25 110.047 170.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -74.68 -31.59 61.96 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.705 -0.85 . . . . 75.5 108.705 171.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.89 -42.8 66.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.434 -0.803 . . . . 74.32 111.43 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 77.6 p -77.24 -49.57 14.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.136 0.493 . . . . 53.21 111.749 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.48 29.12 12.67 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 114.84 -1.073 . . . . 51.21 111.467 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.75 169.67 15.91 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.369 0.668 . . . . 72.34 111.184 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 143.1 29.44 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 108.212 -1.033 . . . . 75.32 108.212 166.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.24 140.45 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 122.872 0.469 . . . . 74.13 111.656 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.38 117.56 25.48 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.368 1.067 . . . . 71.13 108.557 171.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 HD11 ' A' ' 63' ' ' ILE . 27.5 mm -94.2 124.3 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 123.446 0.698 . . . . 74.3 109.975 175.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -122.7 123.47 41.18 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.188 1.395 . . . . 73.31 107.49 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 t -138.77 150.21 45.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.959 -0.756 . . . . 33.14 108.959 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.9 m -83.34 11.02 7.33 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.369 0.668 . . . . 73.42 112.174 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -139.89 126.79 20.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.768 0.827 . . . . 62.33 109.336 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 97' ' ' ARG . 12.4 pt-20 -74.86 -24.2 58.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.976 0.91 . . . . 45.44 113.156 -175.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.14 -30.75 49.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 109.181 -0.674 . . . . 54.23 109.181 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 56' ' ' LYS . 58.2 mt -68.33 -48.88 71.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 CA-C-N 114.83 -1.077 . . . . 71.13 109.402 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.635 HG21 ' HE1' ' A' ' 123' ' ' HIS . 28.2 mm -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.482 0.489 . . . . 52.45 110.438 175.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.43 -44.81 89.29 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 124.004 0.922 . . . . 73.0 111.042 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.536 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 38.4 t -62.83 -43.13 99.62 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 114.926 -1.034 . . . . 72.15 111.23 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.1 mm -65.58 -31.37 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 71.0 110.774 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 81.1 mtm180 -73.99 -44.26 55.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.104 0.562 . . . . 71.34 111.918 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 65.4 pttt -68.29 -36.83 79.96 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.866 0.104 . . . . 74.11 111.075 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -74.61 -46.24 39.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.474 0.71 . . . . 74.4 110.625 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -128.77 93.6 36.96 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.011 0.925 . . . . 65.13 109.257 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.73 -19.35 14.44 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.371 2.047 . . . . 74.2 113.218 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -72.0 -23.81 61.47 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.508 0.929 . . . . 73.22 113.508 -176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 73' ' ' VAL . 4.5 p -83.07 137.24 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.542 0.337 . . . . 72.43 111.828 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.82 113.3 4.79 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 168.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.432 ' HB ' HG23 ' A' ' 83' ' ' ILE . 24.9 p -116.51 144.47 44.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.39 0.676 . . . . 73.14 109.722 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -158.33 131.0 7.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.957 -1.127 . . . . 73.45 107.957 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 80' ' ' GLU . 41.6 ttp180 -72.75 133.02 44.35 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.571 -0.9 . . . . 75.14 108.571 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 106.01 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.488 -1.301 . . . . 73.44 107.488 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -99.59 -47.97 4.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.195 0.998 . . . . 54.42 108.365 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.71 143.87 43.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.266 -1.334 . . . . 55.1 109.472 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 49.8 pttt -67.65 -26.18 66.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.718 0.807 . . . . 75.24 111.189 177.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.2 pt-20 -70.22 -40.32 74.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.614 0.766 . . . . 70.44 110.985 171.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.74 -35.73 77.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.7 0.8 . . . . 73.41 111.739 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 13' ' ' ILE . 65.0 t -70.94 -53.53 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 O-C-N 123.458 0.474 . . . . 63.35 110.646 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.568 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 65.0 pttt -65.62 -35.74 81.67 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 111.9 0.333 . . . . 64.21 111.9 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.15 -46.68 87.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.35 1.06 . . . . 72.3 111.605 170.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.27 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.537 0.735 . . . . 74.25 111.644 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 50' ' ' ILE . 62.1 t -64.94 -56.89 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.261 -0.881 . . . . 73.13 110.092 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -52.71 -43.87 65.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.093 0.957 . . . . 61.43 111.701 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.68 -42.73 81.65 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.308 -0.86 . . . . 72.21 110.99 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -63.16 -32.51 73.92 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.073 0.949 . . . . 61.25 110.986 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.513 HD11 HD11 ' A' ' 28' ' ' ILE . 81.7 mt -76.09 -46.59 28.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.513 1.125 . . . . 74.23 111.35 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.03 -25.29 63.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.172 0.589 . . . . 73.31 112.03 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -92.76 18.61 8.62 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 65.15 110.943 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.37 -71.94 2.73 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 123.272 0.463 . . . . 64.33 112.124 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -164.55 44.72 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.752 -0.939 . . . . 74.11 110.752 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -157.56 168.81 26.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 74.32 109.286 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.25 166.24 11.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.832 0.853 . . . . 61.25 108.967 168.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.72 81.14 0.28 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 122.001 0.905 . . . . 74.23 110.272 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 57.2 32.17 21.27 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.129 -1.396 . . . . 73.33 111.363 -175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 40.04 77.85 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.367 1.467 . . . . 72.43 111.904 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -69.5 134.92 49.46 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.185 -0.916 . . . . 73.51 112.204 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.635 ' HE1' HG21 ' A' ' 83' ' ' ILE . 12.1 m170 -126.47 163.61 22.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.441 1.496 . . . . 71.12 108.691 171.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -82.83 -52.14 7.01 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.812 -1.181 . . . . 74.41 107.812 164.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 108.13 -1.063 . . . . 64.44 108.13 167.779 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptp . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 119.93 -0.081 . . . . 53.22 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.16 113.15 5.5 Favored Glycine 0 C--N 1.357 1.718 0 O-C-N 123.667 0.604 . . . . 74.33 112.219 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.47 116.59 6.91 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.315 0.646 . . . . 73.53 110.532 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 48' ' ' MET . 5.2 t -96.66 131.88 42.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.23 -1.026 . . . . 63.43 108.23 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.577 HG11 HD12 ' A' ' 37' ' ' ILE . 65.3 t -131.67 121.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.006 -0.739 . . . . 54.24 109.006 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HD1' ' HB ' ' A' ' 50' ' ' ILE . 59.2 t80 -97.11 106.45 18.78 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.597 -0.52 . . . . 71.23 109.597 175.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.513 HD13 HG13 ' A' ' 37' ' ' ILE . 58.6 tp -94.34 139.95 30.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.834 -1.173 . . . . 44.52 107.834 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -151.29 170.22 20.04 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.608 0.718 . . . . 74.11 111.398 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.57 -33.46 11.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.73 1.612 . . . . 62.11 110.696 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -123.13 144.16 49.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.001 0.52 . . . . 73.24 111.628 -172.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.22 -45.65 72.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.914 1.286 . . . . 74.44 112.777 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.71 -24.22 67.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.084 0.554 . . . . 64.33 111.394 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.628 HG21 ' HG2' ' A' ' 52' ' ' LYS . 43.0 mm -70.32 -52.72 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-N 114.993 -1.003 . . . . 71.34 109.135 173.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.4 -42.0 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.044 1.338 . . . . 70.24 111.896 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.87 -43.87 97.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.165 0.986 . . . . 73.11 111.305 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 11.0 mm-40 -70.51 -39.81 73.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.724 0.81 . . . . 64.2 112.104 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 108' ' ' VAL . 58.9 t -65.71 -43.07 93.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 123.243 0.617 . . . . 70.11 111.233 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.5 t -64.81 -35.9 82.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.909 0.884 . . . . 64.44 110.65 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 3.9 tppp? -63.35 -48.79 76.49 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.067 0.547 . . . . 75.13 110.248 175.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -41.87 83.96 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.362 0.665 . . . . 74.45 111.063 176.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -65.21 -35.71 81.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.663 0.785 . . . . 74.51 111.605 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.16 -53.04 15.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.126 0.57 . . . . 73.13 110.301 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 31.9 mm-40 -57.7 -37.84 74.2 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.069 0.856 . . . . 63.51 112.505 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -90.5 -20.37 22.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 111.95 0.352 . . . . 75.51 111.95 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 30.9 27.83 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.091 0.396 . . . . 31.4 114.091 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -85.04 149.04 25.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.52 0.728 . . . . 62.41 110.377 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -96.58 87.22 4.32 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.771 0.829 . . . . 64.32 109.141 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.589 HD12 ' HB2' ' A' ' 21' ' ' ALA . 16.6 mt -112.96 108.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.846 -0.615 . . . . 75.13 109.87 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.2 tp-100 -78.28 118.09 20.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.688 -0.856 . . . . 60.11 108.688 174.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.28 135.56 39.73 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.439 0.696 . . . . 75.14 109.976 -175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -147.93 157.06 43.33 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.531 0.732 . . . . 75.11 110.778 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.61 -12.78 10.28 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.812 1.245 . . . . 74.45 109.651 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.54 104.1 16.09 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.547 0.739 . . . . 73.34 109.996 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -68.47 -26.39 65.47 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.781 0.832 . . . . 73.13 112.298 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.89 -41.25 95.68 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 123.549 0.531 . . . . 74.31 110.748 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.3 tt0 -62.47 -50.82 69.9 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.192 -0.913 . . . . 70.14 109.77 174.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD12 HG11 ' A' ' 5' ' ' VAL . 41.7 mm -63.35 -43.94 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.622 1.169 . . . . 71.34 112.678 -169.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 65' ' ' GLN . 73.5 mt -54.36 -45.34 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.856 1.263 . . . . 72.43 110.545 174.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.16 -33.23 75.51 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.462 -1.244 . . . . 75.04 110.893 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtp180 -75.56 -36.27 60.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.627 0.771 . . . . 74.34 111.058 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.11 -39.84 87.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.364 0.666 . . . . 65.13 110.557 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -57.56 -38.83 75.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 123.719 0.637 . . . . 55.25 111.557 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -79.92 -12.77 59.71 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.035 0.934 . . . . 75.52 112.574 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 61.74 30.07 18.27 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 123.953 0.783 . . . . 63.55 109.836 -166.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 19.5 t-20 -71.66 -27.11 62.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.631 -1.168 . . . . 74.45 109.798 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.402 HG21 ' HB ' ' A' ' 49' ' ' ILE . 27.6 mt -115.81 129.32 72.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.837 1.255 . . . . 73.24 108.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.67 -32.55 13.33 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.281 0.633 . . . . 74.12 111.433 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.2 ptm -150.09 129.86 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.644 0.735 . . . . 72.35 109.402 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.1 tt -133.69 146.17 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.426 1.091 . . . . 65.3 109.195 -168.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.421 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 55.2 mt -129.2 123.53 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.333 -0.988 . . . . 51.35 108.333 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -117.33 111.46 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.477 0.711 . . . . 63.43 109.869 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 13' ' ' ILE . 45.9 tptt -99.59 106.91 18.93 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.94 -0.763 . . . . 63.13 108.94 173.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.429 HG22 HG12 ' A' ' 51' ' ' VAL . 10.7 t -166.52 159.56 14.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.02 0.928 . . . . 74.33 109.473 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.596 0.758 . . . . 72.5 110.816 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -77.35 105.44 8.47 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.586 -0.894 . . . . 75.43 108.586 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -58.07 -33.45 69.06 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.36 1.464 . . . . 74.53 111.92 -172.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.05 -31.18 50.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.658 0.783 . . . . 74.24 111.578 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -66.85 -47.91 70.45 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.126 0.571 . . . . 74.11 109.498 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.05 -50.64 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 114.009 -1.451 . . . . 72.03 109.893 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -55.06 -51.31 66.75 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 124.517 1.135 . . . . 64.25 111.734 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 61.4 mm-40 -61.54 -45.86 92.36 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.82 0.7 . . . . 75.33 112.128 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.88 -49.56 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.397 0.435 . . . . 72.23 110.303 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 HG13 ' A' ' 75' ' ' ILE . 80.5 mt -59.83 -42.06 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 O-C-N 123.805 0.691 . . . . 62.23 110.593 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -57.67 -40.78 80.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.839 0.856 . . . . 74.14 110.96 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.3 mm100 -70.44 -35.36 73.33 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.708 -0.678 . . . . 73.22 111.145 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 ' HB3' ' A' ' 71' ' ' ALA . 74.7 t -77.59 -30.78 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 75.23 111.738 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.5 mt -67.01 -36.6 82.51 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.307 -0.627 . . . . 73.2 109.307 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.34 -41.62 32.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.526 -1.216 . . . . 62.35 111.775 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -77.87 -40.45 40.02 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.938 0.495 . . . . 63.23 110.606 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.05 44.8 4.03 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 115.76 -0.654 . . . . 72.5 112.473 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.69 174.01 6.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.282 0.633 . . . . 53.41 110.091 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -94.67 133.51 38.27 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 107.281 -1.377 . . . . 73.44 107.281 168.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.707 HG13 HG23 ' A' ' 93' ' ' VAL . 6.5 p -131.85 126.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.024 0.375 . . . . 52.31 110.43 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.414 ' HB3' HG12 ' A' ' 50' ' ' ILE . 56.1 tp -108.37 109.87 21.29 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.999 0.92 . . . . 72.54 108.908 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 45.8 mm -91.93 116.04 32.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 123.771 0.829 . . . . 74.11 109.115 175.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 92.4 mt -110.32 125.56 53.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.232 1.013 . . . . 65.21 108.364 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 t -145.54 151.56 38.33 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.988 -0.745 . . . . 62.21 108.988 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -74.87 -35.84 62.31 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.901 0.48 . . . . 70.15 111.304 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -88.43 127.26 35.5 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.27 0.557 . . . . 64.41 110.441 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' ' 97' ' ' ARG . 12.6 pt-20 -74.03 -18.29 60.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.957 -1.019 . . . . 54.21 111.725 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -82.32 -28.6 31.54 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.741 -0.466 . . . . 71.13 109.741 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 86' ' ' ILE . 75.6 mt -65.4 -54.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 N-CA-C 108.449 -0.945 . . . . 71.21 108.449 168.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 33.3 mm -50.99 -46.96 30.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 O-C-N 124.441 1.088 . . . . 72.25 110.655 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.23 -45.37 91.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.668 0.787 . . . . 74.52 111.208 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -61.66 -38.27 87.15 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.09 0.556 . . . . 42.32 110.942 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 HG11 ' A' ' 93' ' ' VAL . 46.5 mm -70.66 -29.78 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 123.103 0.561 . . . . 74.35 110.682 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 41.6 mtm180 -73.02 -37.02 67.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.73 0.412 . . . . 74.55 111.676 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.41 -37.72 31.63 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 111.682 0.252 . . . . 74.31 111.682 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.11 -45.82 66.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.913 0.485 . . . . 70.51 110.432 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' O ' HG12 ' A' ' 93' ' ' VAL . 22.9 m-85 -125.21 93.15 45.92 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.414 -0.958 . . . . 74.03 108.414 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.6 -29.34 52.29 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 C-N-CA 121.71 1.606 . . . . 51.1 113.913 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -80.96 -2.15 46.6 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 113.655 0.983 . . . . 72.4 113.655 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.707 HG23 HG13 ' A' ' 73' ' ' VAL . 11.3 p -82.46 147.94 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.166 0.439 . . . . 64.33 110.242 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.55 120.0 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.472 -1.307 . . . . 74.41 107.472 165.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 p -123.19 150.68 43.05 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.383 0.673 . . . . 61.42 109.248 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -158.32 126.01 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.652 -1.24 . . . . 72.24 107.652 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' HB3' ' A' ' 80' ' ' GLU . 66.6 ttt180 -67.17 118.31 10.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.42 -0.585 . . . . 73.04 109.42 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -137.72 105.85 5.72 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 107.247 -1.39 . . . . 55.32 107.247 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.94 -55.94 3.43 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.711 0.632 . . . . 73.14 109.897 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -96.22 159.22 15.07 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.778 -1.101 . . . . 63.02 109.472 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.37 -30.16 64.64 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.789 1.236 . . . . 64.4 112.437 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.2 pt-20 -62.27 -48.68 78.85 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.557 0.743 . . . . 73.24 110.523 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.55 -36.63 83.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.869 0.868 . . . . 72.22 111.41 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.8 t -67.41 -53.85 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 123.785 0.678 . . . . 65.14 110.755 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 58.4 pttt -63.33 -33.87 76.47 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.573 0.546 . . . . 55.04 111.32 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.74 -45.49 89.63 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.417 0.687 . . . . 75.35 111.389 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.94 85.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.432 0.693 . . . . 63.03 111.38 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 17' ' ' VAL . 72.1 t -62.51 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 124.099 0.96 . . . . 63.41 110.333 176.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.37 -48.29 68.71 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.93 0.892 . . . . 74.22 111.001 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.38 -18.9 58.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.384 1.074 . . . . 75.3 111.926 -176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.413 ' HB2' HD22 ' A' ' 74' ' ' LEU . 65.9 t80 -71.57 -39.49 70.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.429 -0.582 . . . . 61.14 109.429 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 28' ' ' ILE . 59.1 mt -80.07 -48.91 12.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.008 -0.996 . . . . 70.41 112.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -73.66 -34.22 64.82 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.056 0.543 . . . . 64.31 112.269 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -85.43 -13.4 49.39 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.041 0.136 . . . . 73.43 110.661 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.41 79.42 0.71 Allowed Glycine 0 C--N 1.355 1.625 0 O-C-N 123.419 0.449 . . . . 63.44 113.465 171.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.37 -72.84 1.88 Allowed Glycine 0 C--N 1.348 1.235 0 O-C-N 123.942 0.437 . . . . 44.34 112.514 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 p -73.49 106.52 5.32 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.191 -0.67 . . . . 63.34 109.191 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.1 mp -64.79 -47.41 78.22 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.086 0.946 . . . . 72.01 109.632 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -128.23 169.75 13.81 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 114.312 -1.313 . . . . 64.2 108.562 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -163.13 0.82 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 108.202 -1.036 . . . . 62.4 108.202 166.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -64.96 109.67 2.19 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 108.183 -1.043 . . . . 61.23 108.183 167.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -79.76 68.59 5.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.357 1.063 . . . . 71.43 110.28 -167.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -139.35 159.61 41.75 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.52 1.128 . . . . 72.32 109.92 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -126.63 21.02 7.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.456 1.102 . . . . 74.21 109.335 170.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 . . . . . 0 C--O 1.251 1.156 0 N-CA-C 107.316 -1.365 . . . . 62.21 107.316 177.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 120.555 0.217 . . . . 72.11 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.96 120.89 37.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.004 -1.11 . . . . 73.33 108.004 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.2 t -124.24 117.41 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.454 -0.572 . . . . 75.23 109.454 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -88.63 146.96 24.79 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 75.15 109.844 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.5 tp -135.61 130.36 34.3 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.01 1.324 . . . . 74.0 108.462 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 38.1 t -156.09 138.81 15.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.627 0.771 . . . . 71.41 109.207 170.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.4 -21.17 60.56 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.949 0.9 . . . . 72.33 111.04 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -101.47 134.2 44.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.663 0.785 . . . . 75.31 110.509 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.09 -46.51 74.02 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.026 0.93 . . . . 75.14 112.33 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.48 -24.82 67.99 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.75 0.42 . . . . 73.53 112.061 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 101' ' ' LYS . 29.3 mm -68.95 -51.91 39.62 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 N-CA-C 109.141 -0.689 . . . . 52.13 109.141 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -54.77 -39.49 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.709 1.204 . . . . 63.45 111.371 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.51 -41.56 96.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.8 0.84 . . . . 74.42 111.365 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.655 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 43.9 mm-40 -74.46 -37.06 63.33 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.799 0.687 . . . . 74.22 112.083 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 HG11 ' A' ' 108' ' ' VAL . 78.1 t -68.09 -40.95 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.272 0.629 . . . . 74.33 110.515 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 t -67.07 -31.54 72.11 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.542 -0.754 . . . . 55.53 110.578 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.8 tppt? -71.23 -44.92 64.39 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.228 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -60.45 -39.39 87.37 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.18 0.592 . . . . 70.22 110.679 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.59 -26.14 66.12 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.724 -0.671 . . . . 65.44 111.542 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.0 -53.51 8.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.413 0.685 . . . . 63.41 110.399 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 12.9 mm-40 -55.52 -49.78 71.73 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.778 0.831 . . . . 55.52 111.774 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.49 -20.48 29.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.701 0.8 . . . . 65.21 112.275 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 38.13 47.74 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.526 -0.23 . . . . 54.15 112.526 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -83.34 143.86 30.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 73.44 111.298 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.87 107.87 16.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.238 1.015 . . . . 70.21 109.446 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 21' ' ' ALA . 22.2 mt -136.44 143.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.216 0.606 . . . . 51.34 109.475 174.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -105.55 114.52 28.73 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.269 -1.011 . . . . 73.32 108.269 165.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -96.91 132.93 42.18 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.583 -0.525 . . . . 74.21 109.583 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -131.66 149.63 52.43 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.101 0.96 . . . . 43.34 109.355 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.2 t-20 -101.19 -28.68 12.53 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.337 0.655 . . . . 74.34 110.74 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.82 120.07 36.48 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.515 0.726 . . . . 62.2 111.404 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 58' ' ' SER . 13.2 ptpt -69.18 -33.65 73.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.981 0.913 . . . . 72.25 112.98 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.39 -36.7 81.86 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.056 0.543 . . . . 73.15 110.533 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 23.3 tt0 -58.14 -50.3 73.99 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 114.955 -1.02 . . . . 70.3 109.587 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.95 -38.23 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 114.776 -1.102 . . . . 75.32 111.656 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 98.4 mt -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.459 0.703 . . . . 65.31 110.069 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 29.1 t70 -74.46 -31.05 62.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.224 0.609 . . . . 61.15 111.721 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.4 mtp180 -70.74 -34.37 71.8 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.166 0.508 . . . . 64.45 110.001 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.52 -26.42 55.22 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.19 -0.914 . . . . 65.2 110.833 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 10.3 mtpm? -64.78 -34.51 78.52 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.251 0.62 . . . . 65.3 110.566 170.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -85.6 -7.92 58.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.3 0.64 . . . . 74.35 111.163 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.32 21.73 10.01 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 125.077 1.351 . . . . 74.4 111.734 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -88.08 11.6 15.73 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.96 0.904 . . . . 71.54 112.581 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.521 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.2 mt -110.52 122.87 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.369 -0.975 . . . . 63.23 108.369 169.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.06 -39.28 23.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.272 0.629 . . . . 71.02 110.671 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.68 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 13.9 ptm -151.28 135.16 16.51 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.042 0.937 . . . . 65.12 108.903 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.4 tt -134.63 148.74 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.36 0.664 . . . . 71.3 110.343 -169.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.435 HG21 HG22 ' A' ' 108' ' ' VAL . 56.6 mt -133.1 119.11 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.023 -1.103 . . . . 64.15 108.023 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -115.51 114.87 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.488 0.715 . . . . 71.32 109.796 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -107.43 112.9 25.91 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.914 0.885 . . . . 73.01 109.401 173.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.424 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.0 t -174.84 162.88 3.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.556 1.142 . . . . 73.04 109.124 173.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.03 -8.56 30.11 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.466 0.707 . . . . 73.33 109.938 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.12 95.92 1.02 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 73.33 109.897 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -56.25 -30.2 62.1 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.848 1.259 . . . . 75.32 112.234 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.93 -47.77 84.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.119 0.967 . . . . 75.31 111.425 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 68.7 p -71.37 -48.31 50.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.852 0.461 . . . . 53.45 110.394 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.424 HD11 ' O ' ' A' ' 53' ' ' THR . 90.2 mt -51.04 -54.41 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 123.898 0.749 . . . . 75.25 110.656 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.34 -58.02 9.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 62.44 111.482 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 53.7 mm-40 -64.02 -42.73 97.03 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.598 0.592 . . . . 72.14 112.598 -172.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.643 HG21 HG21 ' A' ' 51' ' ' VAL . 1.6 mp -57.17 -49.08 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 123.537 0.523 . . . . 65.41 110.164 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 75' ' ' ILE . 86.9 mt -58.57 -42.93 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 122.669 0.388 . . . . 52.34 110.687 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -62.56 -30.88 71.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.826 0.85 . . . . 72.41 111.142 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.1 mm100 -77.75 -30.72 51.71 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.825 -0.625 . . . . 74.02 111.618 173.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.578 HG11 ' HB ' ' A' ' 73' ' ' VAL . 79.7 t -74.05 -30.61 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 122.965 0.506 . . . . 53.22 110.655 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.4 mt -62.27 -40.62 96.84 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.58 -0.526 . . . . 74.23 109.58 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.62 -42.1 91.93 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.253 -0.885 . . . . 73.31 110.852 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.8 p -80.41 -24.86 39.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.809 0.444 . . . . 51.21 112.135 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.59 25.96 74.86 Favored Glycine 0 C--N 1.348 1.23 0 O-C-N 123.234 0.334 . . . . 52.12 112.646 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -84.62 172.2 11.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.755 . . . . 62.0 111.217 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -84.57 139.34 32.17 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.815 -1.18 . . . . 60.43 107.815 170.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.687 HG13 HG23 ' A' ' 93' ' ' VAL . 4.6 p -136.17 130.85 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.146 0.578 . . . . 63.5 110.567 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.46 113.88 22.02 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.166 0.986 . . . . 63.44 108.805 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.52 ' HB ' HG22 ' A' ' 95' ' ' THR . 48.6 mm -97.67 125.61 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 123.479 0.712 . . . . 70.51 109.544 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 122.49 38.26 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.853 1.261 . . . . 74.44 108.257 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.6 p -146.56 152.55 39.13 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.641 -0.504 . . . . 54.24 109.641 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.5 t -67.33 -33.27 74.91 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.801 0.84 . . . . 74.1 110.684 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -91.23 122.64 34.03 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-N 115.202 -0.908 . . . . 72.3 111.045 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -72.28 -23.2 61.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.597 -1.183 . . . . 62.23 111.304 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -74.81 -33.85 62.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.992 -0.744 . . . . 74.55 108.992 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.437 HG12 ' HE2' ' A' ' 56' ' ' LYS . 80.9 mt -64.3 -54.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 N-CA-C 109.191 -0.67 . . . . 73.05 109.191 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' HB ' ' A' ' 95' ' ' THR . 31.2 mm -51.1 -53.75 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 124.179 0.924 . . . . 70.15 110.572 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 -38.17 90.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.771 0.828 . . . . 73.52 111.967 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 m -59.16 -42.82 91.68 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.498 0.319 . . . . 71.53 110.707 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.685 HG22 HG11 ' A' ' 93' ' ' VAL . 46.3 mm -69.17 -31.66 50.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.776 -0.647 . . . . 73.15 110.817 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 72.2 mtp85 -70.19 -46.44 64.59 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.979 0.512 . . . . 70.11 111.755 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -74.33 -30.41 62.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.533 0.333 . . . . 70.21 111.395 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -76.79 -41.66 43.65 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.808 0.443 . . . . 73.32 110.799 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 93' ' ' VAL . 34.9 m-85 -125.23 104.22 29.14 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 123.451 0.7 . . . . 64.45 109.143 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.51 -29.77 24.5 Favored 'Trans proline' 0 C--N 1.368 1.569 0 C-N-CA 122.18 1.92 . . . . 74.11 113.497 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -85.82 -6.63 59.07 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.714 1.005 . . . . 73.21 113.714 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.687 HG23 HG13 ' A' ' 73' ' ' VAL . 12.4 p -75.69 141.94 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.097 0.408 . . . . 74.5 110.328 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.475 ' HG3' ' HE1' ' A' ' 111' ' ' PHE . 9.9 mm-40 -85.31 127.18 34.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 106.658 -1.608 . . . . 74.13 106.658 167.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 83' ' ' ILE . 3.2 p -135.85 140.53 44.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.868 0.467 . . . . 65.01 109.819 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -153.85 138.0 16.5 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.559 -0.904 . . . . 54.03 108.559 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -77.54 119.87 21.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.648 -0.871 . . . . 73.42 108.648 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.03 105.17 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.22 -1.03 . . . . 71.43 108.22 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -94.6 -53.01 4.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.769 -0.826 . . . . 72.13 108.769 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.62 154.38 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.215 -0.902 . . . . 72.01 109.129 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.574 ' HB3' HD13 ' A' ' 13' ' ' ILE . 41.4 pttt -63.55 -20.35 65.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.353 1.061 . . . . 71.23 112.362 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.637 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 53.7 mm-40 -62.37 -50.2 72.49 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.439 0.696 . . . . 61.33 110.934 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.33 -33.19 74.98 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.087 -0.961 . . . . 73.12 112.019 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 13' ' ' ILE . 46.5 t -65.5 -57.28 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.595 -0.73 . . . . 65.44 110.138 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.655 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.4 pttt -65.96 -32.14 73.45 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.343 0.402 . . . . 75.13 111.669 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.89 -53.42 58.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.567 0.747 . . . . 73.11 111.058 170.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 96' ' ' ARG . . . -61.25 -38.86 88.19 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.998 0.811 . . . . 72.54 111.383 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.517 HG11 HG13 ' A' ' 17' ' ' VAL . 55.2 t -60.42 -48.23 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.424 -0.807 . . . . 73.01 109.654 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.16 -47.75 83.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.506 -0.77 . . . . 74.01 111.514 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -61.03 -37.01 81.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.924 0.89 . . . . 55.41 111.221 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.475 ' HE1' ' HG3' ' A' ' 94' ' ' GLU . 47.3 t80 -64.3 -42.5 96.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.384 -1.28 . . . . 61.02 110.087 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -79.44 -33.57 42.35 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.542 -0.754 . . . . 74.3 112.981 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -59.33 -44.92 92.55 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.21 0.529 . . . . 74.03 110.503 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 CA--C 1.547 0.837 0 CA-C-N 114.889 -1.051 . . . . 73.11 111.888 -176.425 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 tptt . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 110.24 -0.281 . . . . 72.23 110.24 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -87.36 127.91 40.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 124.685 1.241 . . . . 64.14 109.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.7 t -131.43 123.32 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 108.458 -0.941 . . . . 60.51 108.458 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HB3' HG22 ' A' ' 30' ' ' THR . 70.6 t80 -102.59 131.24 49.47 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.169 -0.678 . . . . 73.42 109.169 173.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -124.09 140.72 52.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.479 1.112 . . . . 73.32 108.468 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 m -148.02 156.04 42.19 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.996 -0.742 . . . . 74.34 108.996 164.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.72 -25.82 41.03 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.472 -0.785 . . . . 64.42 109.255 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.48 143.3 28.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.643 0.777 . . . . 73.41 111.138 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -76.3 -46.33 28.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.044 0.938 . . . . 62.31 112.258 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.19 -29.58 70.47 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.721 0.408 . . . . 62.04 111.968 -173.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.471 HG23 HG11 ' A' ' 104' ' ' VAL . 36.5 mm -62.6 -49.18 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 O-C-N 123.745 0.653 . . . . 74.22 110.086 172.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.44 -37.33 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.374 1.07 . . . . 75.21 111.832 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.0 -37.65 86.47 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.325 0.65 . . . . 73.33 110.791 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 60.2 mm-40 -67.36 -47.94 68.93 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.96 0.904 . . . . 74.41 111.779 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LYS . 76.1 t -66.88 -39.02 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.545 -0.752 . . . . 72.04 111.152 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 t -73.4 -30.59 63.35 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.294 0.638 . . . . 32.33 110.8 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.3 tppt? -66.39 -50.47 63.35 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.46 -0.571 . . . . 73.1 109.46 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -65.01 -33.19 75.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.094 0.558 . . . . 74.3 111.158 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.54 72.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.276 0.631 . . . . 74.41 111.218 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.61 -50.02 28.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.632 0.773 . . . . 70.33 110.474 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 14.3 mm-40 -59.46 -39.46 83.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.69 . . . . 63.32 111.86 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -92.48 -12.38 32.19 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.933 -0.576 . . . . 71.25 112.517 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.15 17.9 77.41 Favored Glycine 0 N--CA 1.47 0.926 0 O-C-N 123.195 0.31 . . . . 64.13 113.514 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 25.8 m-85 -69.45 114.51 7.75 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 122.799 0.44 . . . . 73.54 110.237 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.53 105.25 7.48 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.89 -0.781 . . . . 74.45 108.89 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 112' ' ' LEU . 32.3 mt -127.36 128.84 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.818 0.847 . . . . 62.41 109.355 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.58 ' HB3' HG22 ' A' ' 5' ' ' VAL . 19.0 tp60 -77.59 106.53 9.43 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.922 -1.14 . . . . 63.02 107.922 167.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 6' ' ' PHE . 24.2 p -98.96 141.2 32.03 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.31 0.644 . . . . 73.32 109.282 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.504 ' HB3' HD11 ' A' ' 37' ' ' ILE . 41.9 t -155.57 140.34 17.1 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.629 0.772 . . . . 54.21 110.289 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -83.03 -42.55 17.37 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.965 0.906 . . . . 65.41 109.702 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.89 110.3 7.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.272 -0.876 . . . . 73.42 110.771 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.52 -31.11 72.18 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.859 -1.064 . . . . 72.34 112.019 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.25 -32.31 72.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.81 0.444 . . . . 73.42 111.098 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 16.6 tp10 -60.47 -50.25 74.31 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.697 0.799 . . . . 73.24 109.469 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 31' ' ' SER . 44.9 mm -68.58 -39.84 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.235 -0.893 . . . . 74.13 112.574 -172.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.465 HG23 ' HG3' ' A' ' 65' ' ' GLN . 92.2 mt -58.49 -39.34 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.592 0.757 . . . . 75.45 109.683 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 13.3 t70 -68.67 -36.91 79.16 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.734 -1.121 . . . . 73.23 110.997 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 39.7 mtp85 -70.39 -31.79 69.18 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.997 0.519 . . . . 63.13 110.916 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.79 -33.08 73.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.778 0.831 . . . . 64.2 110.606 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 39' ' ' ASP . 67.1 mttm -63.63 -39.13 93.59 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.216 0.606 . . . . 63.14 110.752 171.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 24.7 mtt180 -76.48 -18.14 58.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.127 0.571 . . . . 70.1 110.301 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 69.55 22.91 6.12 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.613 1.565 . . . . 73.43 111.26 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.422 ' OD1' ' HD2' ' A' ' 43' ' ' ARG . 12.2 m120 -64.21 -24.74 67.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.996 0.918 . . . . 62.21 111.988 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.456 HG21 ' HB ' ' A' ' 49' ' ' ILE . 25.9 mt -96.36 133.43 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.706 0.803 . . . . 73.33 110.01 -171.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.32 -45.43 6.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.468 0.651 . . . . 63.43 109.9 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -138.87 132.74 30.96 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.075 -0.966 . . . . 73.42 109.088 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.2 tt -139.02 142.66 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.48 0.712 . . . . 75.22 109.44 -172.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.523 HD12 HG13 ' A' ' 108' ' ' VAL . 63.8 mt -129.18 122.11 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.97 -1.122 . . . . 73.43 107.97 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 62' ' ' ILE . 58.4 t -118.24 120.95 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.622 0.769 . . . . 61.33 109.657 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -110.15 107.07 16.75 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.09 -0.708 . . . . 71.52 109.09 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.45 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.1 t -164.84 156.84 15.73 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.344 1.058 . . . . 72.31 108.352 170.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.7 mp0 -93.45 -16.11 24.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.688 0.795 . . . . 71.32 109.992 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.23 96.82 0.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.316 0.646 . . . . 61.21 109.299 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -56.05 -31.61 63.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.318 1.047 . . . . 63.44 112.919 -175.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -73.12 -37.37 66.69 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.417 0.687 . . . . 64.11 111.236 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.2 p -74.04 -43.75 56.73 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.837 0.455 . . . . 53.53 110.138 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 53' ' ' THR . 88.4 mt -51.75 -47.49 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.193 0.933 . . . . 72.4 109.875 173.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -52.23 -52.91 49.61 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.284 -1.325 . . . . 70.14 112.087 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.3 -49.62 76.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.432 0.693 . . . . 63.44 111.456 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -58.31 -50.71 77.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.67 0.606 . . . . 71.3 110.417 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 75' ' ' ILE . 69.0 mt -59.13 -41.01 82.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 O-C-N 123.446 0.466 . . . . 64.04 110.879 -178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -57.81 -41.02 81.3 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.095 0.558 . . . . 71.35 110.934 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 38' ' ' ILE . 13.3 mm100 -69.65 -33.57 72.78 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 123.652 0.595 . . . . 75.25 111.32 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 71' ' ' ALA . 90.6 t -76.99 -28.57 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 C-N-CA 123.657 0.783 . . . . 73.13 111.127 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -68.46 -43.33 77.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.202 -1.036 . . . . 64.1 108.202 173.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.29 -41.94 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.149 -1.387 . . . . 75.13 111.461 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -88.51 -16.52 32.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 44.51 112.456 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.37 42.21 83.1 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.265 0.353 . . . . 74.1 113.558 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -103.88 174.97 5.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.697 0.799 . . . . 74.14 111.985 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 135.79 33.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.912 0.885 . . . . 71.15 108.654 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG23 ' A' ' 93' ' ' VAL . 7.1 p -144.09 139.38 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 122.646 0.379 . . . . 63.22 111.365 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.3 tp -118.59 116.6 26.95 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 108.188 -1.042 . . . . 73.02 108.188 173.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 46.2 mm -97.25 122.88 49.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.228 -0.656 . . . . 73.1 109.228 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.79 129.64 56.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.345 1.058 . . . . 65.34 108.4 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.6 m -143.07 139.54 30.54 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.099 -1.075 . . . . 64.14 108.099 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 p -64.39 -26.93 68.68 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 122.971 0.508 . . . . 64.0 110.919 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -95.94 121.34 37.58 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.029 -0.987 . . . . 55.41 110.017 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 13.4 pt-20 -83.4 -13.79 54.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.75 0.82 . . . . 71.42 112.564 -174.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -30.16 48.6 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.036 -0.727 . . . . 71.54 109.036 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.568 HG23 ' HG2' ' A' ' 56' ' ' LYS . 66.2 mt -67.38 -49.33 72.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 115.042 -0.981 . . . . 75.54 109.014 168.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 27.2 mm -53.35 -41.89 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 123.477 0.485 . . . . 64.53 111.351 173.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.72 -45.97 90.25 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.153 0.981 . . . . 71.54 110.309 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -61.02 -38.62 86.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.032 0.933 . . . . 74.21 111.569 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.0 mm -69.39 -34.11 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.467 0.707 . . . . 71.2 111.146 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 18.2 mtm180 -75.98 -30.28 58.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.565 0.346 . . . . 53.24 111.802 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -88.47 -32.46 18.24 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 111.956 0.354 . . . . 75.32 111.956 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -77.07 -42.55 37.85 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.923 0.489 . . . . 70.21 110.076 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-85 -119.7 95.88 49.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 107.658 -1.238 . . . . 71.24 107.658 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.19 -26.68 35.93 Favored 'Trans proline' 0 C--N 1.363 1.296 0 C-N-CA 122.048 1.832 . . . . 74.22 113.445 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.01 7.86 44.75 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.659 0.985 . . . . 74.24 113.659 -170.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 73' ' ' VAL . 9.7 p -90.88 132.22 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 118.227 0.467 . . . . 72.43 110.444 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.35 131.65 41.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 80.7 p -136.47 161.82 34.78 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.301 0.64 . . . . 64.24 110.054 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -159.31 139.4 11.96 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.173 -1.047 . . . . 72.42 108.173 169.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 48.1 ttp180 -67.69 123.22 19.88 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.468 -0.938 . . . . 74.24 108.468 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.36 102.39 6.16 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 107.885 -1.154 . . . . 64.02 107.885 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.33 -63.64 1.37 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.309 0.644 . . . . 72.41 109.553 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.3 m-20 -77.72 156.77 30.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.381 -1.281 . . . . 73.43 109.979 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.59 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.3 pttp -60.43 -26.84 67.03 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.832 0.853 . . . . 72.12 110.135 169.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 21.5 mm-40 -62.85 -51.93 65.11 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.527 1.131 . . . . 72.32 110.454 172.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HG2' ' HB2' ' A' ' 100' ' ' ASP . 18.7 mm-40 -54.48 -40.41 68.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.743 0.817 . . . . 54.43 111.4 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG11 HG23 ' A' ' 13' ' ' ILE . 48.5 t -67.49 -58.13 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 123.816 0.698 . . . . 71.43 111.448 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 56.5 pttt -65.06 -34.45 78.46 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.447 0.467 . . . . 72.23 111.832 -171.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.48 -31.52 63.8 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.387 0.675 . . . . 75.45 112.293 174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.485 0.314 . . . . 65.32 111.008 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 98.4 t -67.06 -56.96 11.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 108.897 -0.779 . . . . 55.32 108.897 174.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 41.5 tt0 -49.49 -44.02 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.099 1.36 . . . . 65.34 111.688 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 33.4 tt0 -68.04 -47.56 68.05 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.065 0.853 . . . . 74.51 111.234 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -58.24 -27.23 63.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.957 0.903 . . . . 74.34 110.605 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 61.2 mt -80.79 -43.45 20.09 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.936 0.894 . . . . 71.32 111.566 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.472 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.9 mttm -59.96 -43.76 94.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.808 0.443 . . . . 71.33 110.54 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 9.0 mm-40 . . . . . 0 CA--C 1.544 0.74 0 CA-C-N 115.291 -0.868 . . . . 73.44 110.61 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 C--O 1.247 0.931 0 CA-C-O 121.134 0.492 . . . . 63.51 110.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -94.11 135.08 29.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.545 -1.207 . . . . 72.1 107.907 166.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 29' ' ' GLN . 70.3 t -129.15 119.79 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.652 -0.87 . . . . 64.31 108.652 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.524 ' HB3' HG22 ' A' ' 30' ' ' THR . 84.9 t80 -98.74 118.32 35.2 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.468 -0.568 . . . . 75.32 109.468 173.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.9 tp -103.67 141.33 36.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 123.818 0.847 . . . . 72.23 108.776 170.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -150.85 146.78 26.56 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.047 -0.723 . . . . 74.5 109.047 167.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -86.76 -17.04 34.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.583 -0.735 . . . . 71.55 109.649 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.2 129.9 48.71 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 70.25 109.636 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 14' ' ' ILE . 26.6 tp60 -67.62 -42.33 82.51 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 75.42 113.356 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.13 -45.6 87.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.459 0.304 . . . . 52.11 110.471 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 101' ' ' LYS . 17.8 mm -51.53 -49.76 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 O-C-N 124.112 0.882 . . . . 63.31 111.619 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 30' ' ' THR . 86.6 mt -54.78 -48.61 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.16 0.984 . . . . 74.21 110.659 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 -33.94 76.73 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.018 0.824 . . . . 70.53 111.645 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 56.1 mm-40 -64.43 -49.46 71.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.006 0.523 . . . . 65.51 111.55 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG11 ' A' ' 108' ' ' VAL . 97.4 t -71.58 -37.62 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.683 -0.689 . . . . 73.12 111.281 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 30' ' ' THR . 30.2 t -69.22 -39.12 78.76 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.134 0.574 . . . . 50.11 111.012 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 16.4 tppt? -66.2 -44.26 84.44 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.57 0.544 . . . . 75.51 110.158 176.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.17 -36.2 83.47 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.542 0.737 . . . . 61.52 111.145 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.54 -31.85 72.23 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.67 -0.696 . . . . 74.11 110.884 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.08 -40.14 71.75 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.613 0.571 . . . . 63.42 110.253 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 46.0 mt-10 -57.45 -48.5 79.0 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.172 0.589 . . . . 75.43 110.411 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -85.03 -16.57 40.28 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.402 -0.817 . . . . 64.43 112.81 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 21.89 76.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.549 0.531 . . . . 61.13 113.068 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -72.72 120.68 18.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.258 0.623 . . . . 72.1 110.445 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.09 93.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 109.09 -0.707 . . . . 74.43 109.09 170.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ALA . 30.4 mt -123.69 122.73 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.544 0.738 . . . . 63.1 109.503 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB3' HG22 ' A' ' 5' ' ' VAL . 7.6 tp-100 -82.62 113.13 20.1 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.78 -0.822 . . . . 74.42 108.78 171.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 14' ' ' ILE . 41.6 p -105.72 134.5 48.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 122.956 0.502 . . . . 72.25 110.001 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.488 ' HB3' HD11 ' A' ' 37' ' ' ILE . 47.1 t -151.57 161.07 43.31 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.397 0.679 . . . . 50.22 110.335 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.99 -32.53 9.19 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.353 1.061 . . . . 63.2 109.262 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.3 104.61 10.04 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 115.61 -0.723 . . . . 74.33 109.96 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -64.76 -28.16 69.39 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.04 -0.982 . . . . 73.0 111.557 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.86 -37.47 79.12 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.797 0.839 . . . . 63.31 110.9 -173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 22.3 tt0 -62.51 -48.15 80.82 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.568 -0.742 . . . . 64.33 109.589 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 31' ' ' SER . 51.5 mm -64.14 -36.46 77.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.005 -0.998 . . . . 72.51 111.216 -173.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -58.97 -44.65 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.846 0.858 . . . . 64.31 110.288 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 24.1 t70 -65.52 -33.68 76.49 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.232 -0.895 . . . . 72.15 110.81 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.1 mtp180 -74.4 -28.63 61.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.359 0.664 . . . . 71.14 110.926 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.7 mt -68.78 -34.83 76.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.516 0.726 . . . . 64.42 110.405 170.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 27.4 mtpp -66.81 -33.13 74.93 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.88 0.872 . . . . 64.51 111.686 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.6 mtt180 -71.06 -15.93 62.56 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.111 0.564 . . . . 74.1 111.033 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.15 22.37 11.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.893 1.277 . . . . 55.12 110.626 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.63 -22.34 47.08 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.555 0.742 . . . . 45.25 110.954 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.449 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.3 mt -97.54 125.76 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 123.558 0.743 . . . . 75.52 109.492 -176.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -89.98 -41.59 11.65 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.147 0.499 . . . . 74.14 110.494 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 ptm -145.33 138.85 26.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.51 -0.768 . . . . 74.12 108.996 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.449 ' HB ' HG21 ' A' ' 46' ' ' ILE . 8.7 tt -138.49 147.34 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.681 0.792 . . . . 75.01 109.649 -171.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 74' ' ' LEU . 59.9 mt -132.86 119.8 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.351 -0.981 . . . . 73.4 108.351 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG21 HG21 ' A' ' 62' ' ' ILE . 59.2 t -115.28 123.58 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.62 0.768 . . . . 75.33 109.986 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.1 tptp -113.57 110.87 20.94 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.92 0.888 . . . . 74.54 109.396 173.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 59' ' ' ILE . 4.8 t -163.3 152.08 14.28 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.114 0.565 . . . . 72.05 110.492 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.6 0.38 57.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.565 1.146 . . . . 71.45 110.446 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -92.22 108.47 19.97 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.188 -0.671 . . . . 63.51 109.188 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -52.33 -38.29 58.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.138 1.375 . . . . 72.12 113.062 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.71 -38.57 64.78 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.539 0.525 . . . . 74.21 110.578 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' ILE . 48.4 m -66.87 -42.27 85.91 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.325 0.65 . . . . 75.45 110.08 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 75' ' ' ILE . 75.9 mt -59.62 -53.03 54.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.281 -0.872 . . . . 73.51 109.903 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 t -55.47 -51.74 65.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.319 1.048 . . . . 71.52 112.127 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 38.4 mm-40 -56.46 -48.91 76.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.544 0.738 . . . . 71.1 111.749 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.27 -50.01 79.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 123.791 0.682 . . . . 65.1 110.442 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HG13 ' A' ' 75' ' ' ILE . 65.7 mt -58.42 -43.36 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 123.158 0.286 . . . . 74.43 110.717 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.25 -43.7 83.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.562 0.745 . . . . 61.42 110.759 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.7 mm100 -60.24 -50.52 73.33 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.292 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 71' ' ' ALA . 95.9 t -66.01 -39.63 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.299 1.04 . . . . 74.44 112.246 -171.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 87.2 mt -67.68 -37.41 82.31 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.094 0.473 . . . . 64.21 110.532 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.74 -35.99 60.03 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.504 -0.771 . . . . 71.03 110.469 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -80.62 -16.18 54.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.778 0.831 . . . . 73.32 111.628 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.26 59.62 6.67 Favored Glycine 0 C--N 1.349 1.289 0 O-C-N 123.166 0.291 . . . . 72.34 112.769 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.561 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -127.32 172.65 10.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.461 0.705 . . . . 75.05 109.519 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -91.92 142.86 27.09 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 109.342 -0.614 . . . . 74.32 109.342 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.76 132.47 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.225 0.61 . . . . 74.13 110.462 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.532 ' HB3' HG12 ' A' ' 50' ' ' ILE . 43.7 tp -115.08 124.58 51.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.219 1.008 . . . . 73.4 108.341 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 63' ' ' ILE . 37.6 mm -106.46 123.88 61.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 123.712 0.805 . . . . 73.31 109.278 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 78.9 mt -121.16 133.01 55.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.69 1.196 . . . . 60.12 107.972 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -156.14 143.06 18.89 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.835 -0.802 . . . . 63.33 108.835 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.5 p -64.17 -29.51 70.62 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.76 0.824 . . . . 54.31 110.98 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -92.12 109.74 21.1 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.168 -0.924 . . . . 74.24 109.2 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.26 -12.53 59.96 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 71.41 112.218 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -72.49 -38.52 68.14 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 108.683 -0.858 . . . . 60.15 108.683 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.0 mt -66.83 -47.41 82.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.983 -0.747 . . . . 74.44 108.983 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 30.1 mm -52.25 -45.42 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 124.054 0.846 . . . . 75.05 110.659 175.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.62 -37.72 79.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.826 0.45 . . . . 71.43 111.732 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -60.75 -38.25 84.56 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.296 0.569 . . . . 62.32 110.166 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.38 -33.61 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.881 -1.054 . . . . 74.14 111.091 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 71.6 mtp85 -68.27 -49.1 62.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.644 0.378 . . . . 74.44 111.492 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -73.71 -33.19 64.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.877 -0.601 . . . . 71.1 111.808 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -80.4 -37.85 31.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.559 0.344 . . . . 60.21 111.272 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.26 101.77 31.11 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.279 0.632 . . . . 74.25 109.349 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 -39.99 5.33 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.299 1.999 . . . . 64.51 114.013 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -75.51 -15.14 60.43 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.608 0.966 . . . . 63.22 113.608 -168.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.736 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -76.15 141.38 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 122.461 0.305 . . . . 63.44 110.554 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -83.23 136.3 34.45 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.825 -0.806 . . . . 63.15 108.825 169.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 10.0 p -139.72 147.46 40.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.831 0.452 . . . . 72.14 110.772 -173.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.751 HH11 ' HB2' ' A' ' 107' ' ' ALA . 55.9 ttt180 -160.91 139.3 9.86 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.621 0.768 . . . . 72.32 108.989 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -69.55 131.69 45.07 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.936 -0.764 . . . . 75.21 108.936 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.15 104.55 4.3 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.655 -1.239 . . . . 35.21 107.655 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -86.78 -52.25 5.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.898 0.479 . . . . 55.24 110.376 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -92.44 152.1 19.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.498 -0.774 . . . . 75.34 109.802 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 13' ' ' ILE . 39.3 pttt -60.97 -20.07 61.89 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.587 1.155 . . . . 64.02 112.27 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -54.64 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 72.3 110.598 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.84 -34.19 72.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.019 0.928 . . . . 70.34 111.595 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.561 HG21 HD12 ' A' ' 13' ' ' ILE . 48.2 t -68.09 -60.21 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 O-C-N 123.712 0.632 . . . . 75.22 110.544 -177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.9 pttt -64.47 -31.4 72.6 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.487 0.492 . . . . 72.24 111.209 -174.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.87 -58.02 8.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.842 1.257 . . . . 73.31 111.277 168.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.751 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -63.31 -32.27 73.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.527 0.731 . . . . 44.41 111.399 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.506 ' HA ' HD13 ' A' ' 50' ' ' ILE . 60.2 t -58.65 -53.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 O-C-N 124.103 0.877 . . . . 75.32 109.549 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 78.3 tt0 -58.74 -43.66 90.29 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.867 0.729 . . . . 75.41 111.006 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -61.96 -38.73 89.61 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.6 0.76 . . . . 72.45 111.835 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.61 -32.58 73.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.977 0.911 . . . . 74.42 110.254 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 82.5 mt -82.64 -27.21 31.52 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.031 -0.986 . . . . 74.43 112.462 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mttm -62.16 -44.73 95.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.877 0.471 . . . . 61.04 110.613 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.473 0.702 0 CA-C-N 115.842 -0.617 . . . . 75.41 110.521 175.461 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.6 tptt . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 120.642 0.258 . . . . 74.44 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.93 122.42 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.436 1.095 . . . . 63.32 108.347 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 HD12 ' A' ' 37' ' ' ILE . 58.2 t -128.62 138.11 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.686 0.794 . . . . 73.21 110.235 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.505 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.6 t80 -114.31 144.6 42.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.597 0.759 . . . . 75.23 108.993 170.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -136.64 140.51 42.84 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.783 1.233 . . . . 61.42 108.893 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -157.43 160.64 38.56 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.563 0.745 . . . . 54.13 109.613 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.43 -44.43 74.97 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.523 -0.917 . . . . 75.43 108.523 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.88 144.17 27.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 113.592 -1.64 . . . . 61.24 112.174 -163.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.28 -48.0 58.73 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.352 1.061 . . . . 73.33 112.146 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.73 -33.59 70.41 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.284 0.633 . . . . 73.24 111.381 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.7 mm -61.93 -52.86 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.163 -0.926 . . . . 65.03 109.351 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 30' ' ' THR . 37.2 mt -59.43 -37.01 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.987 1.315 . . . . 74.01 111.732 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.79 -42.47 85.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.215 0.606 . . . . 62.5 110.488 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 60.3 mm-40 -66.37 -43.65 85.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.87 0.868 . . . . 71.0 111.769 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 HG11 ' A' ' 108' ' ' VAL . 39.5 t -63.54 -49.93 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.092 -0.958 . . . . 61.25 111.267 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -70.61 -26.36 63.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.932 0.893 . . . . 34.52 110.939 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -67.56 -53.22 30.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.51 0.724 . . . . 74.31 110.129 174.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -66.62 -38.38 86.83 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.997 0.427 . . . . 71.43 109.889 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.42 97.03 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.02 -0.991 . . . . 73.33 111.159 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.37 -48.77 79.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.706 0.802 . . . . 75.51 110.713 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 13.5 mm-40 -61.76 -41.12 97.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.628 0.771 . . . . 72.22 112.337 -177.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -90.63 -8.04 51.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.179 0.437 . . . . 73.12 112.179 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.86 6.4 72.47 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.803 -0.443 . . . . 55.43 113.938 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 29.7 m-85 -71.08 121.41 18.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.301 0.64 . . . . 65.33 110.162 175.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.67 119.41 30.88 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.279 0.631 . . . . 73.4 109.357 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 112' ' ' LEU . 29.8 mt -129.6 140.02 50.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 C-N-CA 123.955 0.902 . . . . 72.32 108.989 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 5' ' ' VAL . 61.1 tp60 -92.53 108.93 20.34 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.231 -1.026 . . . . 71.23 108.231 170.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 6' ' ' PHE . 59.7 p -98.13 140.17 32.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.45 0.7 . . . . 73.12 109.893 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -152.1 152.06 31.87 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.299 0.64 . . . . 74.14 110.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -101.79 -24.47 14.05 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.955 0.902 . . . . 73.33 109.828 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -84.76 101.01 11.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.514 -0.55 . . . . 75.11 109.514 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -65.89 -28.71 69.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.452 1.101 . . . . 61.44 112.834 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -69.12 -36.85 77.95 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.276 0.631 . . . . 62.11 110.988 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.51 -42.92 99.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.748 1.219 . . . . 72.12 110.114 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.438 HD12 HG11 ' A' ' 5' ' ' VAL . 42.4 mm -68.45 -41.34 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 114.886 -1.052 . . . . 52.22 111.108 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.64 HG23 ' HG3' ' A' ' 65' ' ' GLN . 80.6 mt -59.06 -39.44 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.305 1.042 . . . . 65.52 109.854 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 37.0 t70 -63.39 -41.92 98.78 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.138 0.899 . . . . 73.25 110.632 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -69.18 -33.19 72.99 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.21 0.604 . . . . 64.53 111.253 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.78 -29.55 64.59 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.613 0.765 . . . . 74.24 110.411 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -72.77 -26.44 61.54 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.854 0.862 . . . . 72.4 110.817 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 64.9 mtt-85 -85.17 -12.65 52.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.31 0.644 . . . . 73.03 111.645 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 62.91 30.14 16.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.134 0.974 . . . . 65.42 111.081 -175.358 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -88.26 -2.79 58.81 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.38 0.672 . . . . 61.04 112.809 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.33 125.91 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 122.83 0.452 . . . . 73.13 109.995 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.48 -52.27 7.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.068 0.947 . . . . 73.15 110.414 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 ptm -139.38 139.25 37.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.328 -0.851 . . . . 73.41 109.185 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.1 tt -141.2 145.06 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.468 0.707 . . . . 63.11 109.685 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 108' ' ' VAL . 62.0 mt -129.78 128.01 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.454 -1.313 . . . . 72.01 107.454 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 62' ' ' ILE . 40.4 t -127.19 115.84 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.283 0.633 . . . . 51.31 110.192 -175.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 27.0 tptp -97.02 105.68 17.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.645 -0.872 . . . . 62.12 108.645 170.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 51' ' ' VAL . 9.0 t -160.49 144.81 14.14 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.454 -0.943 . . . . 74.22 108.454 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -99.06 -10.36 22.69 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.856 0.462 . . . . 65.0 109.897 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.98 101.94 2.3 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.691 0.796 . . . . 72.11 109.249 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -54.54 -35.4 63.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.074 1.35 . . . . 60.11 113.065 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 48.0 mm-40 -61.94 -49.0 77.87 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.471 -0.566 . . . . 60.11 109.471 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 m -65.56 -43.98 88.14 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.443 0.697 . . . . 60.23 111.248 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.53 -56.69 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.888 0.875 . . . . 71.41 110.242 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -59.43 -42.89 92.94 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.365 1.041 . . . . 62.42 111.008 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 32.7 mm-40 -51.63 -58.76 5.45 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.23 0.956 . . . . 73.03 111.024 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.596 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -57.35 -48.77 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.308 1.005 . . . . 75.4 110.493 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.0 mt -56.79 -49.05 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 123.819 0.699 . . . . 75.14 110.899 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -55.18 -41.67 72.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.143 0.977 . . . . 73.32 110.62 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HG3' HG23 ' A' ' 38' ' ' ILE . 9.9 mm100 -74.21 -28.94 61.5 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.348 -0.842 . . . . 73.22 112.044 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 71' ' ' ALA . 62.0 t -75.18 -35.23 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.859 0.864 . . . . 71.41 110.347 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 80.1 mt -66.68 -43.18 85.13 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.738 -0.838 . . . . 74.44 108.738 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.08 -36.08 82.84 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.936 -1.029 . . . . 34.34 110.852 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 22.5 t -76.6 -25.0 53.44 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.832 -0.622 . . . . 72.0 111.588 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 51.88 48.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.399 -0.68 . . . . 72.11 111.399 -170.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.59 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -118.08 173.39 6.81 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.052 0.941 . . . . 72.44 110.792 -174.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 141.55 28.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.927 0.891 . . . . 74.42 108.6 173.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 93' ' ' VAL . 6.8 p -143.31 137.0 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.999 0.52 . . . . 71.12 111.23 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 34.2 tp -117.46 115.68 25.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.363 1.065 . . . . 72.35 108.473 171.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 95' ' ' THR . 37.4 mm -97.2 121.86 48.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 123.654 0.781 . . . . 75.02 109.506 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.3 mt -116.33 119.8 36.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.789 1.236 . . . . 61.3 107.951 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -136.44 143.23 43.78 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.679 -1.23 . . . . 64.54 107.679 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -66.42 -33.74 76.38 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.558 0.536 . . . . 73.02 111.378 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -89.55 127.64 35.91 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.628 0.771 . . . . 63.04 111.325 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.62 -32.5 73.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.808 1.243 . . . . 73.51 112.731 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -76.26 -30.34 57.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.318 0.647 . . . . 71.13 110.167 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.6 mt -71.56 -46.88 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 109.376 -0.601 . . . . 73.11 109.376 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.742 HG22 ' HE ' ' A' ' 87' ' ' ARG . 24.9 mm -55.18 -36.68 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.1 0.56 . . . . 62.21 110.577 171.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.56 -45.74 85.79 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.657 1.183 . . . . 71.23 111.902 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 m -64.74 -38.0 89.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.966 0.506 . . . . 63.11 110.791 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 82' ' ' ILE . 40.7 mm -68.52 -34.49 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.521 -0.763 . . . . 62.2 110.618 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HE ' HG22 ' A' ' 83' ' ' ILE . 35.2 mtm180 -69.17 -42.33 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.547 0.739 . . . . 74.04 112.446 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.63 -29.51 36.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.437 0.295 . . . . 55.34 111.69 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.47 -40.5 17.64 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.92 0.39 . . . . 63.21 110.574 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -119.55 101.16 48.96 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 108.789 -0.819 . . . . 74.11 108.789 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.92 -34.53 10.57 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.026 1.817 . . . . 72.3 113.168 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -84.38 -10.51 57.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.414 0.894 . . . . 75.2 113.414 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.719 HG23 HG13 ' A' ' 73' ' ' VAL . 7.5 p -74.96 129.94 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.767 0.427 . . . . 72.42 110.353 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 9.1 mm-40 -68.29 115.58 7.9 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.315 -0.994 . . . . 74.5 108.315 167.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.54 ' HB ' HG23 ' A' ' 83' ' ' ILE . 12.5 p -124.35 146.8 48.61 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.546 0.739 . . . . 73.41 109.811 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -158.29 129.52 6.5 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.104 -0.953 . . . . 72.25 108.685 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' NH1' ' HG3' ' A' ' 99' ' ' GLN . 2.0 ttp85 -67.42 128.88 38.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.978 -0.749 . . . . 75.0 108.978 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.62 114.72 6.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.011 -1.107 . . . . 72.44 108.011 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.484 ' HG3' ' NH1' ' A' ' 97' ' ' ARG . 30.1 mt-30 -97.43 -56.27 2.58 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.272 0.358 . . . . 72.41 110.154 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.7 152.44 21.34 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.601 -0.518 . . . . 71.4 109.601 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HB3' HD13 ' A' ' 13' ' ' ILE . 54.3 pttt -61.28 -21.14 63.66 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.359 1.064 . . . . 64.12 112.75 -177.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 28.9 mm-40 -64.47 -50.65 66.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.285 0.634 . . . . 74.4 110.59 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.78 -29.86 70.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.543 -1.208 . . . . 75.0 111.327 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.514 HG11 HG23 ' A' ' 13' ' ' ILE . 61.9 t -69.81 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 123.374 0.67 . . . . 73.14 110.67 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.5 pttt -62.13 -33.54 74.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.503 0.502 . . . . 71.1 111.164 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.79 -51.08 71.26 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.786 0.834 . . . . 74.55 111.002 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.72 83.83 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.114 0.884 . . . . 65.03 111.256 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.703 HG11 HG13 ' A' ' 17' ' ' VAL . 75.7 t -61.92 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 73.11 109.751 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.405 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 30.0 tt0 -49.85 -41.98 46.4 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.599 1.16 . . . . 72.25 111.357 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.1 -47.8 83.94 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.554 1.542 . . . . 72.1 110.874 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -68.2 -33.14 73.88 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.796 1.238 . . . . 63.32 111.031 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 77.2 mt -71.03 -34.39 71.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.296 1.038 . . . . 64.31 111.861 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -55.93 -36.86 68.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.563 0.745 . . . . 72.13 112.928 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.48 1.057 0 C-N-CA 123.099 0.56 . . . . 74.44 111.236 175.313 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.758 0 N-CA-C 109.905 -0.406 . . . . 74.15 109.905 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 48' ' ' MET . 15.4 t -90.45 116.84 32.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.057 -0.974 . . . . 72.53 108.784 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -121.56 113.07 37.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -88.08 135.5 33.39 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.421 -0.585 . . . . 74.43 109.421 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.448 HD13 HG13 ' A' ' 37' ' ' ILE . 43.7 tp -122.47 136.33 54.87 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.218 1.407 . . . . 74.11 108.132 174.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.8 t -155.49 144.3 20.57 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.934 -0.765 . . . . 72.43 108.934 167.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 -14.83 57.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.114 0.566 . . . . 62.04 110.724 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.06 142.69 37.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.6 0.76 . . . . 74.55 110.95 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 HE21 ' HG3' ' A' ' 15' ' ' GLU . 24.1 tp60 -68.68 -52.0 35.77 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.589 1.156 . . . . 64.2 112.771 -176.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.29 -34.16 68.39 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.636 0.774 . . . . 64.45 111.509 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 104' ' ' VAL . 43.3 mm -63.18 -51.99 64.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 115.175 -0.921 . . . . 52.02 109.763 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -41.16 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.444 1.098 . . . . 75.11 111.024 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' HE21 ' A' ' 11' ' ' GLN . 46.1 mt-10 -66.76 -38.54 86.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.654 0.782 . . . . 63.33 112.116 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 63.1 mm-40 -73.65 -38.02 65.12 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.353 0.661 . . . . 74.41 112.044 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.31 -36.94 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.203 0.601 . . . . 74.13 110.58 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -68.42 -35.83 78.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.682 0.793 . . . . 61.44 110.383 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -68.09 -49.49 60.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.259 0.623 . . . . 64.45 109.773 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -38.45 76.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.944 0.898 . . . . 62.24 111.211 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -57.55 12.5 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.115 -0.948 . . . . 63.3 109.971 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.12 -42.81 81.58 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 124.228 0.955 . . . . 74.4 111.771 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -58.01 -49.53 76.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 73.31 111.669 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 38.0 mm-40 -80.97 -7.39 59.52 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.075 0.398 . . . . 74.0 112.075 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.25 43.96 7.76 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 122.808 0.242 . . . . 75.23 113.062 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.47 129.51 56.53 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.099 0.96 . . . . 64.43 109.572 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.15 74.61 1.78 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.665 -0.865 . . . . 74.41 108.665 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.42 134.45 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.33 -0.85 . . . . 65.31 109.81 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.559 ' HG2' HH22 ' A' ' 40' ' ' ARG . 20.8 tp60 -79.1 109.78 13.74 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 108.666 -0.864 . . . . 72.03 108.666 170.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.6 p -96.8 144.02 27.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.518 . . . . 75.24 109.918 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -148.3 149.38 31.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.054 0.941 . . . . 73.04 109.644 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' SER . 25.5 t-20 -103.41 -34.08 8.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.903 0.881 . . . . 72.15 110.75 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -83.97 112.72 20.43 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.187 0.595 . . . . 51.43 111.176 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 10.4 ptpp? -68.51 -34.32 75.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.146 0.979 . . . . 74.42 112.176 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.09 -38.21 90.0 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.381 0.672 . . . . 75.25 111.374 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.9 tt0 -59.19 -47.63 84.6 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.413 -0.812 . . . . 62.44 109.404 174.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.555 HD13 ' HD3' ' A' ' 40' ' ' ARG . 37.0 mm -64.75 -41.6 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 114.838 -1.074 . . . . 73.43 111.987 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 88.0 mt -55.37 -39.75 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.507 0.723 . . . . 55.31 109.994 175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.31 -32.91 63.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.524 -1.216 . . . . 52.22 111.692 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.559 HH22 ' HG2' ' A' ' 29' ' ' GLN . 47.5 mtp180 -73.11 -30.74 63.85 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.089 0.555 . . . . 74.34 110.396 177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -72.17 -31.26 65.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.223 -0.898 . . . . 75.14 110.575 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 93.2 mttt -59.12 -32.63 70.01 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 120.956 0.408 . . . . 35.4 111.066 171.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -84.16 -6.01 59.34 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.01 -0.995 . . . . 63.12 111.692 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 60.91 27.04 16.91 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.76 1.224 . . . . 72.32 110.514 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -79.94 -16.55 55.04 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.156 0.983 . . . . 75.12 112.002 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.425 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.8 mt -108.39 132.83 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.609 0.764 . . . . 64.51 109.841 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 18.1 t70 -88.8 -41.49 12.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.713 0.768 . . . . 52.33 110.208 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 4' ' ' VAL . 8.0 ptp -145.62 136.25 24.28 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.731 -1.122 . . . . 64.44 108.825 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.425 ' HB ' HG21 ' A' ' 46' ' ' ILE . 3.8 tt -133.04 138.68 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 123.857 0.863 . . . . 73.31 109.017 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG21 HG22 ' A' ' 108' ' ' VAL . 57.8 mt -126.36 108.42 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 108.236 -1.024 . . . . 72.53 108.236 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 62' ' ' ILE . 60.7 t -101.01 135.29 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.662 0.785 . . . . 63.01 110.147 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 13' ' ' ILE . 46.3 tptt -124.79 106.01 9.72 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.79 -0.818 . . . . 55.34 108.79 172.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -170.02 162.12 8.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.339 1.456 . . . . 55.25 107.599 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.57 -8.3 21.11 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.06 0.544 . . . . 73.52 111.185 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -70.12 93.17 0.79 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 109.542 -0.54 . . . . 72.12 109.542 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' A' ' 82' ' ' ILE . 54.0 mtpt -57.08 -34.12 67.98 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.098 1.359 . . . . 73.23 112.865 -170.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.07 -44.95 75.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.925 -1.034 . . . . 74.42 110.943 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 93.3 p -73.06 -43.08 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.035 -0.529 . . . . 71.25 110.633 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 75' ' ' ILE . 87.7 mt -50.05 -49.27 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.013 0.925 . . . . 51.43 110.349 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -50.17 -46.63 54.39 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.43 1.081 . . . . 72.41 111.281 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 30.0 mm-40 -66.63 -44.24 82.54 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.292 0.637 . . . . 72.03 111.499 -176.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.69 -55.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 O-C-N 123.66 0.6 . . . . 62.2 109.855 174.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.61 -42.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 124.12 0.887 . . . . 74.24 111.138 -175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -57.15 -43.93 82.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.495 0.718 . . . . 75.04 111.039 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.3 mm100 -65.46 -41.62 93.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.701 0.626 . . . . 65.12 110.79 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 71' ' ' ALA . 58.0 t -67.62 -39.38 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 63.32 111.343 -177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.343 0.657 . . . . 73.42 109.647 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.98 -41.45 96.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.885 -1.052 . . . . 71.12 110.407 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -75.83 -29.14 58.52 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 63.42 111.51 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.18 33.8 43.54 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.421 -0.354 . . . . 34.32 112.451 -173.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.9 172.16 7.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.706 0.802 . . . . 62.43 110.57 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.6 mppt? -89.47 144.31 26.14 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.921 -0.77 . . . . 73.41 108.921 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.678 HG13 HG23 ' A' ' 93' ' ' VAL . 2.6 p -143.22 129.04 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.316 0.646 . . . . 63.25 110.831 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.3 tp -113.08 120.15 40.33 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.23 -1.026 . . . . 55.44 108.23 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 59' ' ' ILE . 36.4 mm -99.64 121.34 50.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.16 -0.681 . . . . 74.31 109.16 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.97 119.48 36.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.318 1.047 . . . . 71.43 108.338 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -140.01 143.97 36.7 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.102 -1.073 . . . . 71.44 108.102 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -69.2 -35.16 75.93 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.764 0.425 . . . . 65.15 110.951 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.85 125.14 34.79 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.356 -0.838 . . . . 51.15 110.376 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.19 -21.38 62.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.159 0.984 . . . . 74.53 112.875 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -80.95 -30.24 35.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.645 0.378 . . . . 75.43 110.051 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.517 HG23 ' HG2' ' A' ' 56' ' ' LYS . 59.9 mt -62.27 -51.52 71.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.625 -0.88 . . . . 70.3 108.625 170.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.565 HG23 ' HB ' ' A' ' 95' ' ' THR . 34.7 mm -51.5 -45.82 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 124.314 1.009 . . . . 72.23 110.796 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.35 -46.83 88.53 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.264 0.625 . . . . 71.1 111.055 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.4 m -58.53 -39.53 80.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.2 0.6 . . . . 42.15 110.985 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.547 HG22 HG11 ' A' ' 93' ' ' VAL . 35.7 mm -68.73 -35.15 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.726 0.811 . . . . 74.43 111.307 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 59.1 mtm180 -69.7 -43.64 72.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.7 0.4 . . . . 74.43 111.511 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -75.67 -34.35 60.46 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 116.536 -0.302 . . . . 74.45 111.363 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.36 -50.84 50.33 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.069 0.548 . . . . 60.4 110.525 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.616 ' O ' HG12 ' A' ' 93' ' ' VAL . 50.6 m-85 -124.11 91.64 49.32 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 123.614 0.765 . . . . 75.42 109.15 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.75 -10.44 27.77 Favored 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 121.869 1.713 . . . . 71.14 113.764 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -85.19 -13.97 48.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.986 0.735 . . . . 74.12 112.986 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 73' ' ' VAL . 7.3 p -77.2 150.68 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.185 0.448 . . . . 71.43 110.363 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.49 131.11 37.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.369 -1.345 . . . . 63.21 107.369 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.565 ' HB ' HG23 ' A' ' 83' ' ' ILE . 28.2 p -129.56 151.32 50.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.239 0.616 . . . . 74.34 110.443 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 140.27 11.52 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.8 -0.815 . . . . 73.33 108.8 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.13 124.44 29.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.161 -1.052 . . . . 72.13 108.161 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.67 104.89 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.684 -1.228 . . . . 62.12 107.684 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -78.46 -61.46 2.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.047 0.451 . . . . 74.31 109.896 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.59 170.06 8.26 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.533 -0.758 . . . . 75.0 109.531 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -52.4 -27.2 14.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.369 1.867 . . . . 73.14 113.941 -174.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -78.86 -37.07 41.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.532 0.733 . . . . 71.52 111.844 -173.217 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.46 -29.71 69.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.822 0.449 . . . . 75.31 111.576 170.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HD12 ' A' ' 13' ' ' ILE . 39.8 t -68.54 -53.59 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 N-CA-C 109.78 -0.452 . . . . 73.34 109.78 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.51 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.1 pttt -65.36 -34.97 79.57 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.422 0.452 . . . . 74.04 111.116 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -52.88 -54.27 36.97 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.184 0.994 . . . . 72.53 111.378 168.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -62.38 -36.95 83.89 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.257 -0.883 . . . . 71.34 112.062 -175.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 50' ' ' ILE . 78.1 t -64.06 -52.0 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 O-C-N 124.144 0.903 . . . . 64.14 110.249 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.54 -48.41 72.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.076 0.95 . . . . 72.43 111.387 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.73 -44.41 90.46 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.707 1.203 . . . . 71.12 110.861 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 39.9 t80 -65.05 -41.83 94.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.222 1.009 . . . . 74.01 111.262 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 19.3 mt -75.43 -39.95 58.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.819 -0.628 . . . . 54.42 111.175 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.06 -25.03 62.46 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 74.32 111.407 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 112.69 0.626 . . . . 72.43 112.69 172.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.494 0.187 . . . . 72.1 110.617 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.415 HG11 HD21 ' A' ' 112' ' ' LEU . 16.1 t -96.47 123.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 N-CA-C 108.929 -0.767 . . . . 61.3 108.929 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 29' ' ' GLN . 69.7 t -123.5 118.37 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.843 -0.799 . . . . 72.15 108.843 174.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.2 t80 -96.36 120.92 37.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.21 0.604 . . . . 74.44 109.424 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 37' ' ' ILE . 55.0 tp -110.05 135.2 51.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.373 1.069 . . . . 74.35 108.929 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 58.5 m -154.33 146.87 24.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.561 0.744 . . . . 73.42 110.615 173.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.08 14.41 14.15 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.673 0.789 . . . . 62.41 111.043 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -142.81 130.09 20.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.413 0.685 . . . . 71.34 109.83 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -68.25 -43.1 78.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.588 0.755 . . . . 64.31 112.581 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -56.08 -36.69 68.38 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.461 0.704 . . . . 70.15 111.207 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 HG21 ' A' ' 104' ' ' VAL . 47.0 mm -67.7 -51.39 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 115.423 -0.808 . . . . 61.34 109.941 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.28 -43.07 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.452 1.101 . . . . 75.43 111.187 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.03 -41.93 70.19 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.419 0.688 . . . . 72.12 111.751 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 30.4 mm-40 -63.32 -43.67 97.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.322 0.649 . . . . 65.3 111.596 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 86.2 t -70.48 -40.74 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.775 -0.648 . . . . 63.41 110.822 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -58.32 -37.96 76.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.887 . . . . 73.23 110.482 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.2 -54.4 21.42 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 115.129 -0.941 . . . . 72.32 110.813 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -62.92 -40.38 97.42 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.564 0.54 . . . . 64.22 110.783 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.39 93.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.96 -1.018 . . . . 73.24 110.933 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.12 -48.01 83.51 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.779 0.675 . . . . 72.34 110.779 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.14 -43.67 74.38 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.915 0.886 . . . . 64.12 111.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -82.2 -17.24 46.87 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.863 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.88 15.53 65.15 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-O 119.938 -0.368 . . . . 73.35 113.241 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.41 110.18 5.18 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.202 0.601 . . . . 74.13 110.611 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.8 92.91 0.71 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.528 0.731 . . . . 72.15 109.881 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 112' ' ' LEU . 29.6 mt -117.29 130.75 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.661 -0.496 . . . . 64.04 109.661 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.515 ' HB3' HG22 ' A' ' 5' ' ' VAL . 22.1 tp60 -88.07 113.35 23.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.662 -0.866 . . . . 72.13 108.662 170.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 6' ' ' PHE . 41.1 p -97.99 148.91 23.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 110.049 -0.352 . . . . 74.32 110.049 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.7 t -151.87 151.18 30.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.888 0.875 . . . . 72.14 110.384 -176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 8' ' ' SER . 26.8 t-20 -96.75 -49.39 5.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.004 0.922 . . . . 72.24 109.671 168.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.62 105.41 1.87 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.374 -1.285 . . . . 73.12 111.126 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 17.5 ptpt -71.94 -28.28 63.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.168 0.987 . . . . 74.12 113.461 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.41 -36.03 80.46 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.133 0.271 . . . . 73.1 111.123 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.9 tt0 -63.05 -45.33 92.72 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 109.794 -0.447 . . . . 65.51 109.794 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 7' ' ' LEU . 51.9 mm -66.51 -38.04 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.129 -0.941 . . . . 52.2 111.483 -172.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' HG3' ' A' ' 65' ' ' GLN . 88.3 mt -58.69 -39.67 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.918 0.887 . . . . 73.43 110.208 172.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 28.5 t70 -71.67 -30.66 65.96 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.356 -0.838 . . . . 34.43 110.956 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.7 mtp180 -70.82 -35.02 72.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.764 0.426 . . . . 63.31 110.075 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 66' ' ' VAL . 61.4 mt -67.1 -34.98 78.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.19 0.596 . . . . 70.11 110.596 174.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.569 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -61.49 -36.49 80.63 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.774 0.83 . . . . 72.42 111.149 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.7 mtt-85 -83.22 -5.59 59.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.65 0.78 . . . . 73.42 112.562 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 22.02 12.82 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.212 1.005 . . . . 75.24 110.545 -172.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.65 -20.22 63.59 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.565 1.546 . . . . 73.14 112.057 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.9 mt -113.3 131.61 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 123.85 0.86 . . . . 74.05 109.645 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -86.66 -39.82 15.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.675 0.79 . . . . 75.34 110.662 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.575 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 16.5 ptm -151.28 132.66 14.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.268 -0.878 . . . . 61.41 109.449 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.501 ' HB ' HG21 ' A' ' 46' ' ' ILE . 6.3 tt -131.74 141.09 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.999 0.92 . . . . 71.04 109.311 -172.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.493 HG21 HG22 ' A' ' 108' ' ' VAL . 67.4 mt -128.51 115.05 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 107.908 -1.145 . . . . 73.02 107.908 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.59 HG21 HG21 ' A' ' 62' ' ' ILE . 40.7 t -112.26 116.39 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.575 0.75 . . . . 63.52 110.543 -173.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 29.3 tptp -102.35 105.79 16.45 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.481 -0.933 . . . . 74.4 108.481 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.471 HG22 HG12 ' A' ' 51' ' ' VAL . 13.7 t -163.41 161.32 24.3 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 74.54 108.994 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -119.61 13.27 12.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.788 0.835 . . . . 72.24 110.057 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.69 101.49 13.19 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.928 -0.768 . . . . 75.0 108.928 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG2' HG23 ' A' ' 82' ' ' ILE . 45.8 mtmt -54.05 -43.86 70.58 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.278 1.031 . . . . 71.14 112.793 -174.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 29.9 mm-40 -60.96 -43.91 98.07 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.157 0.91 . . . . 74.15 111.231 -172.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 79.5 p -74.31 -41.92 60.35 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.638 0.586 . . . . 72.32 110.992 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.483 HG23 HD12 ' A' ' 75' ' ' ILE . 83.9 mt -49.56 -50.82 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.79 0.836 . . . . 64.43 110.212 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 t -54.66 -44.62 73.43 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 124.728 1.267 . . . . 71.44 110.868 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 22.2 mm-40 -61.38 -47.31 86.43 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 123.669 0.606 . . . . 72.44 111.135 -178.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.59 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.46 -55.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 124.073 0.858 . . . . 73.23 109.53 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 53.2 mt -58.46 -42.79 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 124.111 0.882 . . . . 74.03 111.11 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -56.25 -42.92 78.15 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.072 0.949 . . . . 54.42 111.022 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.585 ' HG3' HG23 ' A' ' 38' ' ' ILE . 9.7 mm100 -80.12 -27.49 39.14 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.267 -0.879 . . . . 70.31 111.596 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 89.1 t -72.65 -44.58 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.073 0.549 . . . . 71.25 110.227 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 94.5 mt -60.35 -42.58 96.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.565 0.746 . . . . 64.12 109.906 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.53 -31.41 68.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.31 -0.859 . . . . 71.42 110.574 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -75.08 -25.34 58.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.571 0.749 . . . . 74.04 110.817 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 34.06 64.84 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.239 -0.437 . . . . 62.24 112.579 -173.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -101.2 -179.01 3.91 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.144 0.978 . . . . 52.5 110.716 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.575 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 4.0 mppt? -95.14 146.64 24.16 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.189 0.596 . . . . 70.21 109.532 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.84 132.69 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.048 0.939 . . . . 74.42 110.895 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.8 tp -119.39 113.93 21.56 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.33 1.052 . . . . 71.32 108.558 173.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 59' ' ' ILE . 42.9 mm -92.84 123.17 44.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 123.705 0.802 . . . . 64.54 109.651 176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.31 120.46 37.71 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.915 1.286 . . . . 74.54 107.735 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -137.39 141.57 41.71 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.377 -0.971 . . . . 44.14 108.377 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -33.75 74.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.184 0.516 . . . . 72.11 111.176 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.69 124.04 33.14 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.337 -0.847 . . . . 70.23 110.847 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' A' ' 97' ' ' ARG . 29.7 tt0 -73.32 -24.77 60.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.973 -1.012 . . . . 70.14 112.367 -176.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -72.45 -32.5 66.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.321 -0.622 . . . . 74.0 109.321 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.5 mt -68.46 -47.97 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.569 0.748 . . . . 74.15 109.374 174.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 28.1 mm -50.97 -45.86 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 O-C-N 124.023 0.827 . . . . 73.21 110.368 173.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -62.65 -45.66 91.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.741 0.816 . . . . 64.23 111.641 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.2 m -57.29 -42.05 80.98 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.967 0.507 . . . . 42.41 110.693 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' ILE . 38.9 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-N 114.999 -1.001 . . . . 75.45 110.902 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 47.7 mtm180 -72.01 -48.09 47.19 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.65 0.38 . . . . 71.42 111.804 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.1 -31.18 67.47 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.617 -0.265 . . . . 74.15 111.616 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -73.57 -53.41 10.59 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.729 -0.471 . . . . 73.22 109.729 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -120.02 104.11 44.42 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.336 0.654 . . . . 74.32 110.612 -172.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -71.33 -30.32 15.76 Favored 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.275 1.984 . . . . 72.14 113.285 169.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 5.32 11.09 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 113.93 1.085 . . . . 72.55 113.93 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.717 HG23 HG13 ' A' ' 73' ' ' VAL . 11.6 p -104.54 143.37 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.276 0.489 . . . . 74.23 110.845 174.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.56 129.75 34.79 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.553 -0.906 . . . . 71.33 108.553 166.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 20.0 p -128.63 145.59 51.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.576 0.751 . . . . 72.23 109.406 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.57 128.78 8.22 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.338 -0.986 . . . . 60.13 108.338 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 70.7 ttt180 -67.29 126.52 29.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.11 -0.7 . . . . 73.23 109.11 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.566 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -137.52 108.28 6.64 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 107.868 -1.16 . . . . 74.23 107.868 -177.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.61 -40.57 6.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.959 0.904 . . . . 74.34 109.437 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m-20 -90.5 136.61 32.95 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.467 -1.242 . . . . 74.54 109.516 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -63.0 -27.55 69.5 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.573 0.749 . . . . 73.52 111.474 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.8 pt-20 -67.05 -40.89 87.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.619 0.768 . . . . 75.2 110.791 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.14 -26.11 64.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.173 0.589 . . . . 73.13 112.236 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 13' ' ' ILE . 60.1 t -72.35 -54.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 110.216 -0.29 . . . . 73.31 110.216 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.526 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.7 pttt -65.02 -30.14 71.1 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.285 0.366 . . . . 64.14 111.049 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 36.7 t70 -58.29 -57.33 13.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.918 0.762 . . . . 64.51 110.231 166.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.54 68.11 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.858 0.863 . . . . 75.25 112.468 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 50' ' ' ILE . 92.8 t -64.86 -54.41 30.16 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 O-C-N 124.338 1.024 . . . . 55.44 109.634 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.89 -35.48 76.76 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.876 0.735 . . . . 62.52 111.451 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 5.6 mm-40 -67.99 -43.75 78.2 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.497 0.719 . . . . 74.21 110.12 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.37 -31.11 72.19 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.794 0.838 . . . . 75.42 110.3 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 76.1 mt -78.21 -50.12 12.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.05 0.94 . . . . 63.23 111.628 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -65.99 -35.07 79.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.144 0.577 . . . . 71.21 112.166 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 111.66 0.245 . . . . 60.24 111.66 177.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 16.9 tppt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.292 -0.633 . . . . 62.22 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -99.85 125.86 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 107.6 -1.259 . . . . 72.4 107.6 167.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.6 t -120.74 121.99 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 109.251 -0.648 . . . . 73.04 109.251 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.7 t80 -94.9 106.43 18.42 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.57 -0.9 . . . . 73.11 108.57 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 HG13 ' A' ' 37' ' ' ILE . 59.5 tp -102.65 129.52 49.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.061 0.944 . . . . 73.32 108.901 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 66.9 m -148.68 157.19 43.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.665 . . . . 70.12 109.986 174.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.48 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 26.2 t0 -105.81 4.6 29.99 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.688 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.04 125.68 51.7 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.586 -0.697 . . . . 64.01 109.138 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.477 HE21 ' HG3' ' A' ' 15' ' ' GLU . 25.3 tp60 -65.02 -38.84 92.25 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.479 1.112 . . . . 74.03 112.94 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.75 -50.53 70.69 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.414 -0.587 . . . . 71.11 109.414 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 52' ' ' LYS . 50.3 mm -49.56 -51.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 114.32 -1.309 . . . . 75.53 111.658 172.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 30' ' ' THR . 85.4 mt -56.36 -48.69 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.71 0.804 . . . . 73.35 110.947 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' HG3' HE21 ' A' ' 11' ' ' GLN . 48.0 mt-10 -71.51 -34.77 70.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.346 0.658 . . . . 74.42 112.57 -174.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 101' ' ' LYS . 24.5 mm-40 -64.09 -47.02 81.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.439 0.696 . . . . 72.3 111.08 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 105' ' ' LYS . 61.5 t -77.22 -32.28 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 115.644 -0.707 . . . . 75.5 111.279 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -64.3 -46.02 85.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.718 0.807 . . . . 64.14 110.293 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.0 tppt? -62.86 -45.44 92.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.88 -1.055 . . . . 74.03 110.125 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 109' ' ' GLU . 56.1 tttp -57.99 -46.1 85.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.278 0.631 . . . . 74.15 111.846 176.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.92 72.54 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.588 0.755 . . . . 61.12 111.275 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.78 -47.37 53.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.53 0.732 . . . . 71.42 110.382 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 70.8 mm-40 -61.3 -45.89 92.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.518 0.727 . . . . 74.11 111.753 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -76.39 -21.48 55.99 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.085 -0.507 . . . . 74.02 111.795 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.57 67.84 Favored Glycine 0 C--N 1.343 0.931 0 O-C-N 123.522 0.514 . . . . 74.51 113.072 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 121.4 14.87 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.426 -0.583 . . . . 70.01 109.426 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.21 92.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.095 0.558 . . . . 64.02 109.659 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.44 HD11 HD11 ' A' ' 112' ' ' LEU . 31.8 mt -134.02 127.1 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.794 0.838 . . . . 73.2 110.271 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.1 tp60 -89.71 113.65 25.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 170.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 6' ' ' PHE . 38.8 p -97.14 130.88 44.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 73.14 109.285 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 t -152.13 160.06 43.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.883 0.473 . . . . 62.53 111.194 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -105.47 -46.89 4.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.209 1.004 . . . . 71.41 111.178 -178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.11 109.62 8.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.598 0.759 . . . . 72.42 110.327 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HB2' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -70.32 -21.63 62.9 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.825 0.676 . . . . 65.02 112.825 -178.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.8 -37.52 73.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.189 0.596 . . . . 74.32 111.978 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.62 -38.92 70.73 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.208 1.003 . . . . 75.43 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.412 HG13 HD13 ' A' ' 7' ' ' LEU . 44.9 mm -68.07 -36.17 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 115.246 -0.888 . . . . 75.33 110.669 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -58.24 -41.9 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.055 1.342 . . . . 61.33 110.452 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 32.2 t70 -63.32 -35.82 81.63 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.93 0.892 . . . . 65.22 111.294 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.83 -32.51 57.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.736 0.415 . . . . 62.21 110.787 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.32 -35.36 80.1 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.131 0.573 . . . . 62.21 110.768 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 58.3 mtpt -63.98 -30.85 71.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.798 0.839 . . . . 71.2 111.379 175.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -86.17 -5.74 59.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.558 0.743 . . . . 73.21 111.787 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 64.22 20.27 12.11 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.568 1.147 . . . . 75.44 110.334 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.38 -19.83 59.32 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.728 1.211 . . . . 55.02 111.193 -170.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 55.0 mt -105.25 124.4 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.158 0.983 . . . . 72.24 108.67 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -78.39 -42.33 30.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.28 0.632 . . . . 75.34 110.859 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.11 138.67 19.6 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.463 -0.79 . . . . 70.33 109.698 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -135.89 142.62 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.329 0.652 . . . . 65.42 109.81 -175.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.4 mt -124.01 109.11 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.072 0.949 . . . . 64.15 108.673 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 62' ' ' ILE . 41.3 t -104.35 121.81 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.534 1.133 . . . . 72.24 110.286 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 13' ' ' ILE . 43.7 tptt -115.68 106.82 14.33 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.305 1.042 . . . . 75.14 108.874 173.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 51' ' ' VAL . 6.4 t -162.74 150.52 13.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.081 1.353 . . . . 73.14 108.495 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -13.29 31.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.221 0.608 . . . . 71.42 111.222 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.11 107.85 15.13 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.832 -0.803 . . . . 71.13 108.832 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 59' ' ' ILE . 61.1 pttt -60.12 -25.05 65.16 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.421 1.088 . . . . 74.13 113.131 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.37 -33.7 42.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.959 0.503 . . . . 73.42 110.003 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -70.95 -40.56 71.93 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.257 0.623 . . . . 63.31 109.432 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.553 HG23 HD12 ' A' ' 75' ' ' ILE . 88.8 mt -56.47 -51.74 61.22 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 C-N-CA 124.243 1.017 . . . . 71.02 110.211 171.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.6 t -54.74 -47.35 73.94 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.799 -1.546 . . . . 55.2 111.063 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 34.8 mm-40 -49.3 -52.74 25.71 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 124.428 1.08 . . . . 70.32 112.265 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 34' ' ' LYS . 1.8 mp -59.48 -47.62 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 123.74 0.65 . . . . 72.25 110.232 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 61.0 mt -62.49 -34.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.714 0.633 . . . . 74.14 110.914 -177.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' SER . 27.2 mtpp -61.45 -44.29 97.37 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.405 0.682 . . . . 75.43 109.929 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 6.7 mm100 -69.2 -28.6 66.53 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 115.306 -0.861 . . . . 51.04 110.882 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.16 -26.35 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.805 0.842 . . . . 55.04 110.985 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.2 mt -70.77 -36.42 73.07 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.888 -0.782 . . . . 75.22 108.888 173.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.57 -44.13 68.03 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 114.983 -1.008 . . . . 44.51 112.124 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -82.58 -55.52 4.41 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.092 0.472 . . . . 63.51 111.362 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.53 38.78 3.38 Favored Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.606 -0.725 . . . . 65.14 111.576 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.07 178.63 6.14 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.625 0.77 . . . . 71.2 110.488 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -87.57 144.1 26.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.252 -1.018 . . . . 44.31 108.252 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 93' ' ' VAL . 7.3 p -143.92 132.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.26 0.552 . . . . 73.43 110.237 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.7 tp -113.23 136.31 52.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.253 -1.017 . . . . 74.54 108.253 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.553 HD12 HG23 ' A' ' 59' ' ' ILE . 36.9 mm -117.82 119.4 61.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 123.82 0.848 . . . . 74.52 109.266 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 93.4 mt -118.52 121.64 40.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.669 1.188 . . . . 74.5 108.022 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.3 t -143.76 147.35 34.04 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.168 -0.679 . . . . 43.1 109.168 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -67.82 -37.23 81.66 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.749 0.655 . . . . 74.32 110.106 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.54 109.59 10.4 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 115.092 -0.958 . . . . 61.44 110.077 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.49 -28.99 66.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.433 1.093 . . . . 74.34 110.683 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.25 -34.58 70.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.781 0.433 . . . . 72.1 110.018 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' A' ' 86' ' ' ILE . 59.5 mt -74.03 -37.18 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.987 0.515 . . . . 73.34 110.396 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 26.4 mm -56.6 -44.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.673 -0.492 . . . . 63.04 109.673 171.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.655 0.782 . . . . 71.2 110.756 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.9 m -59.48 -45.06 92.74 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.994 0.809 . . . . 70.14 111.193 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.9 mm -68.41 -31.64 52.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.519 -0.764 . . . . 72.45 110.914 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 48.2 mtm105 -75.63 -40.58 56.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.941 0.497 . . . . 73.34 112.121 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 ptmt -76.24 -29.05 57.38 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.6 0.36 . . . . 64.12 110.973 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -76.4 -54.85 6.16 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.542 -0.54 . . . . 74.31 109.542 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -112.91 101.46 53.24 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.259 1.024 . . . . 74.52 109.472 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.5 -29.46 20.31 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.511 2.14 . . . . 74.04 113.825 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.74 -29.95 51.39 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.776 0.658 . . . . 50.2 112.776 -171.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 73' ' ' VAL . 9.4 p -68.24 133.06 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 122.733 0.413 . . . . 75.43 111.322 -172.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -73.03 135.95 44.97 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.109 -0.701 . . . . 61.43 109.109 168.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 75' ' ' ILE . 1.9 p -146.98 145.11 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.99 1.316 . . . . 71.33 108.497 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -162.51 146.66 11.84 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 109.332 -0.618 . . . . 75.15 109.332 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -67.5 128.86 38.0 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.138 -0.69 . . . . 53.41 109.138 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -143.36 106.32 4.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.122 -1.436 . . . . 54.32 107.122 173.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -94.85 -56.86 2.62 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.921 -0.77 . . . . 60.41 108.921 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.89 155.74 18.52 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.58 -1.191 . . . . 64.03 108.763 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -58.21 -26.82 63.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 63.34 112.673 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.55 -45.43 87.12 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 109.876 -0.416 . . . . 74.24 109.876 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.7 -36.14 80.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.068 0.947 . . . . 73.54 111.2 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 13' ' ' ILE . 46.8 t -70.15 -59.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.818 0.699 . . . . 64.11 110.597 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 17' ' ' VAL . 61.3 pttt -67.33 -32.84 74.07 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.427 0.454 . . . . 65.53 111.866 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.55 -51.63 66.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.916 0.886 . . . . 74.44 110.747 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.234 0.614 . . . . 73.31 111.881 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.528 ' HA ' HD13 ' A' ' 50' ' ' ILE . 69.2 t -64.42 -57.26 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 122.906 0.482 . . . . 75.2 109.8 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' HB2' ' HE3' ' A' ' 20' ' ' LYS . 27.3 tt0 -58.36 -37.39 75.12 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 123.973 0.796 . . . . 71.54 110.907 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.27 -39.2 89.26 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 114.774 -1.103 . . . . 64.13 110.52 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -72.64 -30.27 64.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.424 0.69 . . . . 64.25 110.545 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 4' ' ' VAL . 68.9 mt -71.55 -48.23 49.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.778 0.831 . . . . 54.21 110.886 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.65 -37.18 70.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.525 0.73 . . . . 64.44 111.895 -176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 123.049 0.54 . . . . 64.22 111.751 177.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.242 0.695 0 CA-C-O 120.86 0.362 . . . . 63.55 110.693 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.48 122.11 45.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 114.6 -1.182 . . . . 74.14 108.206 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 37' ' ' ILE . 78.1 t -117.35 120.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.37 -0.604 . . . . 74.13 109.37 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -96.05 104.89 16.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.211 -0.663 . . . . 72.12 109.211 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 55.2 tp -95.07 112.8 24.46 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.982 -0.747 . . . . 71.44 108.982 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -132.85 142.98 49.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.203 -0.666 . . . . 72.43 109.203 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.16 2.66 55.93 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.452 0.701 . . . . 74.13 110.054 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -128.39 130.14 47.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.748 0.819 . . . . 62.14 110.275 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.413 HE21 ' HG3' ' A' ' 15' ' ' GLU . 23.2 tp60 -67.21 -46.93 72.39 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.673 0.789 . . . . 73.42 112.418 -175.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -50.96 -37.5 44.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.762 0.825 . . . . 75.44 111.553 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 104' ' ' VAL . 47.9 mm -69.26 -52.0 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.388 -1.278 . . . . 73.42 110.56 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG23 ' HB ' ' A' ' 30' ' ' THR . 84.8 mt -57.91 -40.59 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.335 1.054 . . . . 75.13 111.781 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' HE21 ' A' ' 11' ' ' GLN . 44.0 mt-10 -62.29 -46.6 88.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.81 0.844 . . . . 72.14 111.005 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.648 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.2 mm-40 -65.78 -47.38 75.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.214 -0.903 . . . . 72.2 111.914 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 105' ' ' LYS . 70.9 t -64.97 -42.08 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.451 0.7 . . . . 53.51 111.169 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 -37.39 72.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.269 0.628 . . . . 53.14 111.764 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -72.78 -39.32 66.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.577 0.351 . . . . 75.21 110.999 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.15 -42.88 96.59 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.859 -0.61 . . . . 62.31 110.357 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.88 78.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.597 0.759 . . . . 75.51 110.82 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.5 -50.02 74.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.822 0.849 . . . . 71.03 110.39 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.9 -32.98 74.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.648 0.779 . . . . 72.54 112.626 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.67 -5.99 50.22 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.33 0.493 . . . . 72.14 112.33 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.89 67.65 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 114.022 0.369 . . . . 55.44 114.022 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -90.06 117.88 29.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.032 0.933 . . . . 73.42 110.964 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.84 94.74 8.8 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.697 -1.223 . . . . 63.54 107.697 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.93 129.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.724 -0.61 . . . . 61.01 109.56 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 5' ' ' VAL . 64.5 tp60 -75.51 105.79 6.72 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.215 -1.032 . . . . 64.54 108.215 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 14' ' ' ILE . 32.7 p -98.07 129.37 44.91 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.48 -0.933 . . . . 63.12 108.48 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.5 t -152.92 155.21 36.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.774 0.43 . . . . 75.04 110.998 -170.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -104.68 -13.6 15.88 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.352 1.061 . . . . 61.51 109.862 170.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 37' ' ' ILE . 6.3 m-20 -75.11 78.96 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.239 1.016 . . . . 74.25 110.929 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -33.93 73.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.336 0.654 . . . . 72.53 111.362 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 123.332 0.653 . . . . 75.35 110.337 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 29.5 tt0 -65.94 -49.06 69.25 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.017 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 5' ' ' VAL . 35.8 mm -62.84 -38.55 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 123.68 0.792 . . . . 75.14 111.484 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.629 HG23 ' HG3' ' A' ' 65' ' ' GLN . 43.2 mt -55.58 -44.17 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.826 0.85 . . . . 73.21 110.537 171.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 28.2 t70 -71.37 -29.68 65.25 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.544 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.36 -29.77 59.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.991 0.516 . . . . 74.23 110.274 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.84 -41.52 97.81 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.192 0.597 . . . . 72.31 109.736 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' A' ' 38' ' ' ILE . 67.6 mttm -59.54 -37.77 79.27 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.352 0.661 . . . . 74.14 111.105 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.7 mtt180 -80.9 -8.23 59.68 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.45 0.7 . . . . 75.35 112.851 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 69' ' ' SER . 10.1 mmm180 65.96 17.52 10.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.505 0.722 . . . . 65.21 111.921 -174.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -21.62 61.54 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.152 0.981 . . . . 73.1 111.872 -178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.4 mt -105.14 126.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.45 0.7 . . . . 41.41 109.752 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -83.71 -46.73 11.95 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.282 0.563 . . . . 61.42 109.906 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 ptm -144.23 140.02 29.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.322 -0.854 . . . . 74.3 109.497 -175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.5 tt -138.58 140.24 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.917 0.887 . . . . 64.15 109.809 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.497 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -127.63 117.4 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.1 -1.074 . . . . 72.35 108.1 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 49.1 t -109.31 124.77 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.29 0.636 . . . . 75.02 110.644 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HG2' HG21 ' A' ' 13' ' ' ILE . 27.7 tptp -116.33 107.62 15.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.344 0.658 . . . . 73.4 109.4 172.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 59' ' ' ILE . 10.0 t -165.33 152.47 10.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.219 1.008 . . . . 74.1 108.626 174.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.54 2.59 56.36 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.026 0.53 . . . . 52.14 110.888 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -86.22 89.55 7.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.63 -0.878 . . . . 74.35 108.63 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HB3' HG23 ' A' ' 82' ' ' ILE . 21.4 pttm -62.35 -26.8 68.65 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.954 0.902 . . . . 72.43 112.373 -173.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.32 -49.04 68.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.038 0.535 . . . . 64.3 110.345 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -67.12 -40.2 86.78 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.609 0.568 . . . . 73.0 110.183 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.567 HG23 HD12 ' A' ' 75' ' ' ILE . 81.1 mt -52.01 -52.83 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 124.191 0.932 . . . . 74.15 110.317 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.6 t -59.53 -31.08 69.07 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.153 -0.93 . . . . 74.33 111.78 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -70.38 -43.85 69.25 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.839 0.455 . . . . 71.44 110.894 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -56.2 -47.92 80.12 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 N-CA-C 109.515 -0.55 . . . . 74.31 109.515 174.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 63.1 mt -61.01 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 123.719 0.637 . . . . 63.14 111.181 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 60' ' ' SER . 61.8 mttp -55.62 -44.36 76.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.939 0.496 . . . . 72.42 110.422 174.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.2 mm100 -73.06 -25.29 60.86 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.048 -0.978 . . . . 62.54 112.687 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 73' ' ' VAL . 76.0 t -75.92 -34.06 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.095 0.558 . . . . 53.15 110.624 174.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 79.3 mt -71.31 -38.65 71.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.339 -0.615 . . . . 73.0 109.339 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.63 -39.77 94.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.412 1.085 . . . . 73.41 111.439 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.483 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . 77.6 p -82.41 -32.51 29.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.995 0.518 . . . . 63.2 111.388 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.23 37.87 35.85 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.77 -0.65 . . . . 64.51 112.129 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -88.03 174.5 8.24 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.648 0.779 . . . . 71.53 110.934 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 132.85 43.51 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.919 -1.141 . . . . 72.24 107.919 175.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 66' ' ' VAL . 9.8 p -133.81 137.84 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-O 121.492 0.663 . . . . 73.41 112.572 -175.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.497 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.2 tp -120.72 126.12 49.37 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.727 1.211 . . . . 63.43 108.03 171.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.657 ' HB ' HG22 ' A' ' 95' ' ' THR . 41.1 mm -109.47 127.16 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.559 -0.534 . . . . 73.54 109.559 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -126.31 133.23 51.45 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.555 1.142 . . . . 72.4 108.169 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.2 p -150.6 156.94 42.36 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.883 0.473 . . . . 71.23 109.867 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -82.26 13.58 3.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.93 0.892 . . . . 71.11 112.646 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HB3' HD12 ' A' ' 82' ' ' ILE . 21.6 t70 -139.12 128.96 24.86 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.235 0.614 . . . . 72.02 110.214 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.66 -33.17 75.27 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.613 1.165 . . . . 75.05 112.777 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -74.05 -31.43 62.87 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.55 0.34 . . . . 70.55 110.209 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 56' ' ' LYS . 88.1 mt -66.06 -48.01 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.405 -0.591 . . . . 74.12 109.405 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mm -55.1 -41.34 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.017 0.527 . . . . 74.13 110.781 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.17 -48.73 72.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.078 0.551 . . . . 74.41 111.449 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.437 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 51.7 p -61.12 -38.74 87.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.843 0.457 . . . . 65.45 111.108 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.485 HG22 HG11 ' A' ' 93' ' ' VAL . 22.9 mm -65.88 -37.77 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.35 -0.841 . . . . 75.05 110.918 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -78.98 -25.97 43.39 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.283 0.846 . . . . 73.44 113.283 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.9 pttt -94.16 -20.27 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.381 0.992 . . . . 63.23 111.341 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.19 -52.4 16.69 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.006 -0.738 . . . . 63.31 109.006 163.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 93' ' ' VAL . 51.5 m-85 -120.11 96.37 49.27 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.122 -0.945 . . . . 71.42 108.721 -176.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.13 -17.47 40.39 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.464 2.109 . . . . 63.33 113.819 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -100.68 4.65 43.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.281 0.845 . . . . 73.0 113.281 -174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 90' ' ' TYR . 13.4 p -79.75 139.74 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 118.212 0.46 . . . . 71.15 109.929 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -86.29 129.87 34.71 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.348 -0.982 . . . . 74.34 108.348 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.657 HG22 ' HB ' ' A' ' 75' ' ' ILE . 46.5 p -137.01 169.1 18.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.002 0.521 . . . . 52.23 110.284 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 52.7 ttt85 -159.23 133.76 7.88 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.959 -1.126 . . . . 71.02 107.959 165.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.73 122.52 18.26 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.413 -0.958 . . . . 73.1 108.413 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.12 103.41 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.673 -1.232 . . . . 50.41 107.673 -176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.22 -50.54 7.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.458 -0.792 . . . . 72.53 110.0 -176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -93.62 152.57 18.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.453 -0.794 . . . . 71.41 109.754 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -59.3 -27.27 65.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.607 1.563 . . . . 62.44 113.295 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.28 -45.25 81.13 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.861 0.465 . . . . 65.2 110.739 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.86 -34.18 75.53 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.31 0.644 . . . . 74.24 111.022 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.637 HG21 HD12 ' A' ' 13' ' ' ILE . 46.1 t -66.31 -54.65 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.316 -0.856 . . . . 61.21 110.501 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 66.1 pttt -61.73 -37.21 83.37 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.684 0.615 . . . . 72.44 111.358 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.19 -41.81 89.73 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.798 0.439 . . . . 74.33 111.613 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.464 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -64.02 -34.37 77.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.16 0.584 . . . . 53.33 110.774 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 59.3 t -61.29 -57.17 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.003 0.921 . . . . 74.12 109.761 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.17 -35.8 72.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.659 0.599 . . . . 75.54 111.045 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.71 -48.24 80.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.81 0.844 . . . . 70.33 110.085 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 74' ' ' LEU . 43.6 t80 -64.51 -33.17 75.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.418 1.087 . . . . 54.23 110.731 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 85.1 mt -77.51 -42.91 33.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.516 0.726 . . . . 75.22 112.299 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.9 -22.85 52.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.844 0.458 . . . . 51.23 112.015 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 . . . . . 0 CA--C 1.543 0.678 0 CA-C-N 116.329 -0.396 . . . . 72.04 110.532 169.365 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.2 tptt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.242 -0.281 . . . . 75.24 110.242 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.59 126.73 45.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.867 0.867 . . . . 72.22 108.713 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -129.26 120.08 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.677 -0.861 . . . . 74.04 108.677 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -94.26 126.22 39.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.503 -0.554 . . . . 73.12 109.503 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.405 HD13 HG13 ' A' ' 37' ' ' ILE . 56.2 tp -113.44 135.72 53.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.554 -1.276 . . . . 71.11 107.554 174.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 t -150.47 155.22 39.11 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.855 -0.424 . . . . 52.14 109.855 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.15 -30.37 17.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.369 -0.832 . . . . 73.2 109.468 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.37 124.31 33.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.743 -0.662 . . . . 73.22 109.738 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.77 -38.97 92.69 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.691 0.619 . . . . 73.11 110.952 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.02 -39.65 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.966 0.906 . . . . 73.31 110.57 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 52' ' ' LYS . 45.1 mm -73.95 -44.73 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.208 -1.36 . . . . 62.41 110.551 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 30' ' ' THR . 83.3 mt -54.05 -44.65 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.971 0.908 . . . . 71.15 110.56 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.82 -46.3 85.75 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.152 0.981 . . . . 65.45 112.027 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 27.6 mm-40 -71.32 -36.84 71.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.568 0.747 . . . . 72.33 112.678 -176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -71.62 -39.23 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.889 -0.412 . . . . 71.32 109.889 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -64.99 -35.49 81.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.281 0.632 . . . . 71.14 110.56 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -64.97 -58.43 6.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.691 0.796 . . . . 62.54 109.742 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' HD2' ' A' ' 105' ' ' LYS . 23.6 tptm -56.69 -44.13 81.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.464 1.105 . . . . 72.24 111.382 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -53.88 53.33 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.906 -1.043 . . . . 73.41 111.172 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.43 -35.7 81.72 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.31 0.644 . . . . 71.43 111.628 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -59.35 -43.66 92.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.12 0.568 . . . . 73.4 111.26 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.23 1.91 56.75 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.978 0.733 . . . . 75.21 112.978 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 28.93 63.02 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 113.822 0.289 . . . . 65.13 113.822 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -90.45 114.3 26.42 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.836 0.854 . . . . 74.54 110.937 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.2 95.72 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.768 -0.827 . . . . 63.12 108.768 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 112' ' ' LEU . 43.5 mt -125.31 116.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.254 -0.647 . . . . 41.41 109.254 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.9 tp60 -76.99 111.8 12.94 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.225 -0.657 . . . . 74.24 109.225 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 14' ' ' ILE . 10.5 p -96.57 130.27 43.8 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.543 0.737 . . . . 64.41 109.425 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -147.59 160.99 42.03 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.44 0.696 . . . . 73.31 110.738 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -116.24 -25.05 7.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.64 1.176 . . . . 72.3 109.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -81.26 91.04 6.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 121.162 0.506 . . . . 72.31 110.155 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.11 -33.48 75.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.392 1.077 . . . . 64.02 112.46 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.0 -30.08 64.87 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.08 0.552 . . . . 74.14 111.421 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.1 tt0 -61.96 -49.16 77.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.291 -0.633 . . . . 75.44 109.291 169.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 7' ' ' LEU . 50.8 mm -61.26 -39.99 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 114.729 -1.123 . . . . 74.55 111.565 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 65' ' ' GLN . 89.2 mt -57.82 -45.57 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.257 1.023 . . . . 62.41 110.602 174.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.43 -36.87 83.76 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.788 -1.096 . . . . 74.33 111.485 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.05 -31.7 61.36 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 73.44 111.054 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 46' ' ' ILE . 88.0 mt -64.23 -35.57 81.25 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.303 0.641 . . . . 70.1 110.452 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.35 -34.09 76.0 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.506 0.722 . . . . 73.51 111.396 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -85.32 -1.16 56.67 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 75.31 112.32 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 62.84 22.14 13.23 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 124.101 0.96 . . . . 73.44 110.567 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -75.29 -20.87 58.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.976 1.31 . . . . 74.31 110.967 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' A' ' 41' ' ' LEU . 35.4 mt -117.12 128.55 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.061 0.944 . . . . 70.21 109.464 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -90.02 -36.68 14.79 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.843 0.857 . . . . 72.34 110.476 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 ptm -150.79 136.67 18.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.673 -1.149 . . . . 73.44 109.417 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.9 tt -134.49 144.39 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.79 0.836 . . . . 74.52 109.634 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.507 HD12 HG13 ' A' ' 108' ' ' VAL . 62.9 mt -130.55 123.55 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.088 -1.078 . . . . 72.33 108.088 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 40.0 t -118.62 119.64 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.383 0.673 . . . . 74.23 110.453 -171.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.4 tptp -103.91 106.93 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 73.44 108.922 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 51' ' ' VAL . 11.6 t -167.62 150.08 5.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.935 . . . . 72.24 109.062 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -97.78 -0.52 45.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.774 0.83 . . . . 60.25 110.34 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -74.58 94.74 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 174.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 82' ' ' ILE . 46.3 mtmt -55.04 -34.25 63.36 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.796 1.238 . . . . 75.31 112.58 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 42.8 mt-10 -74.53 -33.99 62.89 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.102 0.961 . . . . 73.24 110.984 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -67.26 -51.02 58.14 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.645 -0.502 . . . . 71.24 109.645 172.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.3 mt -50.91 -46.21 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 124.546 1.154 . . . . 73.35 110.142 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.9 t -53.15 -52.59 58.25 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.023 -1.444 . . . . 71.3 111.785 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 22.4 mm-40 -65.61 -44.48 86.4 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.367 0.667 . . . . 75.34 111.816 -174.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.48 -49.6 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 O-C-N 123.695 0.622 . . . . 71.15 110.173 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 75' ' ' ILE . 76.7 mt -60.25 -41.29 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 75.14 111.095 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -56.64 -42.07 78.26 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.198 0.599 . . . . 73.33 110.835 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HG3' HG23 ' A' ' 38' ' ' ILE . 15.4 mm100 -68.09 -34.38 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.406 -0.815 . . . . 73.2 111.506 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 71' ' ' ALA . 94.6 t -76.46 -28.81 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.514 0.725 . . . . 74.54 111.149 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -71.18 -41.32 70.5 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.75 -0.833 . . . . 61.53 108.75 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.25 -43.53 97.76 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 72.12 110.976 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -85.71 -21.9 28.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.263 0.625 . . . . 62.21 112.073 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 33.72 75.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 123.352 0.407 . . . . 54.25 112.144 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -86.86 -178.88 6.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.543 0.737 . . . . 63.21 111.026 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.33 141.98 29.76 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.735 -0.839 . . . . 73.3 108.735 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.779 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.07 137.34 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.054 0.454 . . . . 61.45 110.745 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.8 tp -121.45 115.94 23.8 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.354 -0.98 . . . . 73.43 108.354 172.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.552 HG13 HD11 ' A' ' 63' ' ' ILE . 37.7 mm -93.93 123.5 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.251 -0.648 . . . . 73.24 109.251 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 93.7 mt -118.93 120.54 37.58 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.728 -1.212 . . . . 65.34 107.728 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -137.29 141.77 41.93 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.937 -1.134 . . . . 51.22 107.937 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -67.98 -37.99 82.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.727 0.642 . . . . 71.12 110.342 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 18.9 t70 -83.18 118.33 23.53 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.283 -0.871 . . . . 74.02 109.457 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.44 -24.37 62.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.998 -1.001 . . . . 72.2 111.883 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -72.67 -32.73 66.04 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.163 -0.68 . . . . 73.15 109.163 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.558 HG23 ' HG2' ' A' ' 56' ' ' LYS . 68.1 mt -65.87 -49.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.406 -0.815 . . . . 62.3 109.111 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 27.0 mm -52.43 -44.56 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 123.537 0.523 . . . . 73.3 111.321 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -69.82 -34.57 73.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.41 0.684 . . . . 70.23 111.403 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -68.91 -36.72 78.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.237 0.615 . . . . 73.22 110.09 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 82' ' ' ILE . 45.4 mm -69.97 -28.18 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.044 0.538 . . . . 71.02 110.246 177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -71.01 -44.03 66.71 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.539 0.335 . . . . 63.32 111.843 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.11 82.78 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 120.459 0.171 . . . . 72.52 111.056 -178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.37 -39.3 65.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.337 0.655 . . . . 75.22 111.135 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -135.69 94.69 14.73 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.722 0.809 . . . . 73.34 109.4 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.18 -22.37 19.22 Favored 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 122.206 1.937 . . . . 74.14 112.814 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -68.49 -31.76 71.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.991 0.917 . . . . 64.44 113.036 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.779 HG23 HG13 ' A' ' 73' ' ' VAL . 7.6 p -77.87 137.96 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.799 0.44 . . . . 65.23 111.653 -173.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.55 116.03 12.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.042 -0.725 . . . . 72.53 109.042 165.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 23.0 p -117.7 153.02 34.07 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 123.791 0.837 . . . . 62.4 109.284 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -162.28 135.07 5.87 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.292 0.637 . . . . 62.13 109.563 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.4 126.08 28.48 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.949 -0.76 . . . . 75.41 108.949 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.63 106.41 4.47 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.972 -1.121 . . . . 65.32 107.972 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.39 -52.11 3.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.742 0.817 . . . . 75.22 109.809 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.04 151.43 22.26 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.384 -1.28 . . . . 71.44 109.33 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -50.63 -33.94 24.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.491 1.516 . . . . 63.22 112.718 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.555 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 6.2 pt-20 -69.61 -43.11 73.39 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.619 0.574 . . . . 74.24 110.841 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.51 -35.92 80.91 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.779 0.674 . . . . 75.1 111.162 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 13' ' ' ILE . 38.8 t -71.78 -57.86 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.635 0.584 . . . . 63.02 110.484 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 63.6 pttt -64.28 -34.17 77.51 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.503 0.557 . . . . 74.14 112.503 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 1.9 m-20 -72.69 -37.78 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.212 0.605 . . . . 73.54 111.367 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.19 83.29 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.79 0.436 . . . . 64.43 110.626 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 50' ' ' ILE . 76.2 t -60.87 -51.22 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 114.866 -1.061 . . . . 64.33 109.602 175.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 35.7 tt0 -58.85 -39.77 82.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.084 -0.962 . . . . 74.22 112.155 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.0 mt-10 -71.53 -35.43 70.69 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.913 0.885 . . . . 74.33 111.355 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -67.33 -26.05 66.31 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.907 -1.042 . . . . 55.12 109.81 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.5 HD11 HD11 ' A' ' 28' ' ' ILE . 65.9 mt -82.63 -36.35 26.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.472 1.109 . . . . 62.22 112.012 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.7 mttm -59.93 -46.99 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.53 0.732 . . . . 75.21 111.417 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 115.888 -0.596 . . . . 71.24 110.166 -179.47 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 tptm . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.267 0.079 . . . . 74.31 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 112' ' ' LEU . 12.0 t -89.12 126.24 42.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.773 1.295 . . . . 51.45 109.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 29' ' ' GLN . 84.3 t -130.37 119.39 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.736 -0.839 . . . . 75.25 108.736 172.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.574 ' HB3' HG22 ' A' ' 30' ' ' THR . 88.2 t80 -95.1 145.88 24.68 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.384 -0.599 . . . . 74.55 109.384 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -136.54 135.24 38.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.11 . . . . 74.43 108.899 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.6 t -158.55 159.23 35.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.527 0.731 . . . . 73.05 109.404 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.84 -17.47 24.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.471 0.709 . . . . 63.31 110.701 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.02 130.43 54.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.241 0.617 . . . . 75.33 110.078 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -77.41 -30.62 53.61 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 112.603 0.594 . . . . 71.04 112.603 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.75 -32.47 67.49 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.176 0.512 . . . . 74.33 110.197 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.479 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.9 mm -71.63 -49.62 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 114.981 -1.009 . . . . 64.34 109.917 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.28 -39.92 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 52.03 111.779 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.26 -36.33 82.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.201 0.6 . . . . 72.4 111.534 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 58.8 mm-40 -70.6 -40.5 73.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.098 0.559 . . . . 65.54 111.477 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 108' ' ' VAL . 71.4 t -68.69 -40.62 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.308 0.38 . . . . 52.44 110.743 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.1 t -69.17 -34.66 75.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.227 0.611 . . . . 74.41 110.867 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -73.1 -43.99 61.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.165 0.586 . . . . 74.13 110.117 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -54.96 -52.12 64.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.678 0.791 . . . . 73.33 109.918 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.98 85.97 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.775 -1.102 . . . . 71.11 111.25 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.49 -53.14 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.437 0.695 . . . . 61.13 111.206 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.1 -35.87 82.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.05 -0.523 . . . . 51.44 111.233 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 24.6 mm-40 -83.43 -14.54 52.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.214 0.45 . . . . 70.3 112.214 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 12.89 70.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.895 -0.392 . . . . 63.53 113.859 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -79.17 122.75 26.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.112 0.565 . . . . 73.03 110.414 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.21 106.53 15.07 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.854 -0.795 . . . . 74.2 108.854 170.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 112' ' ' LEU . 46.7 mt -120.8 131.66 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.255 -1.017 . . . . 62.31 108.255 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 5' ' ' VAL . 27.9 tp60 -86.19 109.21 18.74 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.59 -0.893 . . . . 72.21 108.59 173.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.2 p -97.99 146.69 25.25 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.931 -0.396 . . . . 71.33 109.931 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -145.65 151.29 37.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.353 0.661 . . . . 74.35 111.194 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -97.75 -28.73 13.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.511 0.724 . . . . 64.01 111.27 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -100.5 116.13 31.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.961 0.504 . . . . 73.15 110.727 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -29.23 67.8 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.844 0.858 . . . . 64.53 111.903 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.19 -37.41 80.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.537 0.735 . . . . 71.1 111.32 -172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.0 tt0 -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.173 -1.376 . . . . 71.02 109.572 172.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 7' ' ' LEU . 44.2 mm -67.94 -39.47 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 114.522 -1.217 . . . . 63.44 111.741 -175.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.646 HG23 ' HG3' ' A' ' 65' ' ' GLN . 96.1 mt -59.09 -42.37 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.429 1.092 . . . . 72.24 109.421 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 29.1 t70 -64.67 -40.87 96.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.511 -1.222 . . . . 71.34 111.045 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 72.7 mtp180 -70.83 -30.14 66.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.464 0.306 . . . . 73.33 111.562 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.25 -33.94 74.02 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.608 0.763 . . . . 74.43 110.49 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 38' ' ' ILE . 95.8 mttt -62.91 -40.7 98.4 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.229 0.612 . . . . 60.21 110.231 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 57.8 mtt180 -77.6 -2.41 35.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.696 0.799 . . . . 74.12 111.61 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 69.26 13.88 8.57 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.976 1.311 . . . . 74.11 111.607 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -25.77 66.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.734 1.214 . . . . 73.25 113.07 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' HB ' ' A' ' 49' ' ' ILE . 26.6 mt -107.74 130.83 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.973 -0.38 . . . . 72.24 109.973 -171.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.71 -38.77 9.37 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.143 0.496 . . . . 72.24 110.888 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.8 ptm -143.9 124.47 14.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.811 -1.181 . . . . 74.0 107.811 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.502 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.7 tt -130.15 144.49 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.894 0.878 . . . . 70.11 109.368 -171.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.521 HG21 HG22 ' A' ' 108' ' ' VAL . 63.2 mt -128.98 115.73 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.491 -1.3 . . . . 74.52 107.491 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 62' ' ' ILE . 70.6 t -112.72 119.46 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.187 0.595 . . . . 73.2 109.523 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -105.79 107.93 19.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.23 1.012 . . . . 65.1 108.455 172.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -161.99 152.56 17.39 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.843 0.857 . . . . 73.5 108.927 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.73 -11.02 25.61 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.607 0.763 . . . . 70.23 110.161 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.45 105.86 8.85 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.867 -0.606 . . . . 74.53 109.485 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -53.28 -38.23 62.9 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.765 1.226 . . . . 74.32 112.892 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 13.2 mm-40 -64.18 -48.51 75.66 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.254 -0.647 . . . . 65.34 109.254 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m -62.17 -44.97 95.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.723 0.809 . . . . 74.03 110.903 -176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.528 HG23 HD12 ' A' ' 75' ' ' ILE . 98.9 mt -53.19 -56.95 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.08 -0.964 . . . . 41.24 110.368 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.3 t -59.43 -42.42 91.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.026 -0.988 . . . . 71.11 111.859 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 14.1 mm-40 -61.71 -48.2 81.84 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.9 0.48 . . . . 70.02 110.383 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.77 -48.77 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.711 0.632 . . . . 70.5 110.269 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 86.4 mt -55.22 -46.13 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 123.601 0.563 . . . . 64.53 110.31 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -57.17 -43.0 82.16 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.142 0.901 . . . . 70.15 110.553 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.6 mm100 -73.04 -22.74 60.58 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.507 0.723 . . . . 75.03 112.282 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 73' ' ' VAL . 97.2 t -84.48 -27.68 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.17 0.588 . . . . 65.23 110.484 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 75.2 mt -67.69 -44.2 78.31 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.993 -1.114 . . . . 72.01 107.993 170.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.74 -42.08 78.65 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.407 1.483 . . . . 71.52 110.469 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -79.65 -21.71 44.47 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.793 -0.639 . . . . 53.41 111.928 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.2 28.27 71.94 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 112.024 -0.43 . . . . 61.11 112.024 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.17 179.14 4.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.389 1.076 . . . . 60.24 111.484 -171.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.82 142.0 28.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.668 0.787 . . . . 71.11 109.497 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.748 HG13 HG23 ' A' ' 93' ' ' VAL . 6.7 p -143.83 139.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.263 0.625 . . . . 73.02 110.342 177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' HG12 ' A' ' 50' ' ' ILE . 20.0 tp -118.7 111.8 18.96 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.173 0.989 . . . . 73.34 108.556 172.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.528 HD12 HG23 ' A' ' 59' ' ' ILE . 34.8 mm -88.07 107.29 17.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-N 115.171 -0.922 . . . . 62.2 109.236 173.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.45 121.63 41.42 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.281 -1.007 . . . . 71.25 108.281 170.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 m -138.92 139.87 38.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.214 -1.402 . . . . 63.34 107.214 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 m -69.01 -33.36 73.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.12 0.568 . . . . 54.12 111.462 -174.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.7 130.98 42.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.132 0.973 . . . . 71.22 111.43 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.37 -22.47 59.19 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.503 0.721 . . . . 63.4 112.687 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -76.15 -33.73 59.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 108.867 -0.79 . . . . 71.4 108.867 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 86' ' ' ILE . 55.7 mt -66.15 -50.58 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 109.123 -0.695 . . . . 73.14 109.123 172.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' HB ' ' A' ' 95' ' ' THR . 19.7 mm -50.41 -47.08 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.409 0.684 . . . . 74.11 111.107 173.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -65.14 -38.59 91.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.032 0.933 . . . . 64.52 111.162 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.5 m -63.5 -40.76 97.93 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.145 0.578 . . . . 72.4 110.656 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 82' ' ' ILE . 39.2 mm -68.62 -28.12 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.819 -0.628 . . . . 61.2 110.797 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 45.7 mtm180 -77.38 -41.54 39.8 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.041 0.536 . . . . 73.32 112.163 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -31.47 68.69 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.365 0.266 . . . . 75.13 110.792 -176.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.39 -53.19 7.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.98 0.512 . . . . 74.35 110.362 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.9 m-85 -121.99 96.47 46.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 123.872 0.869 . . . . 74.4 108.886 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.49 -18.06 23.14 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.019 1.812 . . . . 65.15 112.922 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -83.16 -16.18 47.69 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.041 0.936 . . . . 54.33 113.385 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 73' ' ' VAL . 7.7 p -79.75 143.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.672 0.389 . . . . 64.41 110.696 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.97 114.33 14.48 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.446 -0.946 . . . . 75.2 108.446 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.554 ' HB ' HG23 ' A' ' 83' ' ' ILE . 7.3 p -120.49 144.07 48.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.832 0.853 . . . . 73.32 109.655 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -159.55 130.56 5.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.072 -0.513 . . . . 70.35 110.155 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -61.81 130.21 44.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.632 -0.713 . . . . 75.0 109.693 169.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.6 3.94 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.684 -1.228 . . . . 55.3 107.684 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -91.13 -52.12 4.98 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.595 0.358 . . . . 75.1 111.021 -175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 t70 -93.47 153.73 18.31 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.721 0.408 . . . . 75.52 110.406 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 13' ' ' ILE . 49.7 pttt -61.57 -23.42 65.97 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.596 1.158 . . . . 63.12 112.45 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.554 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 31.7 mm-40 -61.33 -51.17 69.97 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 74.25 110.322 169.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.64 -31.1 71.56 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.51 -1.223 . . . . 63.04 111.579 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 13' ' ' ILE . 60.3 t -69.48 -53.7 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.825 0.45 . . . . 72.04 110.635 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.7 pttt -64.51 -34.17 77.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.696 0.398 . . . . 70.21 110.999 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.4 -42.34 98.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.666 0.787 . . . . 71.42 111.229 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.07 81.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.62 0.768 . . . . 72.11 111.369 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 50' ' ' ILE . 70.7 t -64.79 -56.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.318 -0.856 . . . . 74.23 109.46 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 27.9 tt0 -49.99 -41.83 47.82 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 124.384 1.053 . . . . 64.42 110.689 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 8.9 tp10 -61.72 -52.21 65.22 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.053 -0.976 . . . . 72.32 110.379 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.07 -31.71 67.33 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.378 1.071 . . . . 75.11 111.478 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 28' ' ' ILE . 58.3 mt -75.55 -49.95 17.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.861 0.865 . . . . 54.21 111.692 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 9.9 mtmp? -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.501 0.72 . . . . 62.32 111.039 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 11.4 mm-40 . . . . . 0 CA--C 1.551 0.988 0 CA-C-N 115.458 -0.792 . . . . 72.1 111.405 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 53.8 tptt . . . . . 0 C--O 1.239 0.51 0 N-CA-C 110.219 -0.289 . . . . 64.53 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 28' ' ' ILE . 4.2 t -90.74 129.92 40.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.642 -0.873 . . . . 73.12 108.642 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.489 HG11 HD12 ' A' ' 37' ' ' ILE . 54.9 t -126.76 125.73 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 108.453 -0.943 . . . . 72.55 108.453 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HB3' HG22 ' A' ' 30' ' ' THR . 58.7 t80 -106.13 108.61 20.21 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.166 0.586 . . . . 61.22 109.742 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.7 tp -94.17 120.86 35.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.793 -1.188 . . . . 74.32 107.793 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.475 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 47.7 t -127.16 160.91 29.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.38 0.609 . . . . 55.45 110.571 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.19 -26.1 14.67 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.701 -1.136 . . . . 74.45 110.531 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.7 143.42 51.24 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.441 0.696 . . . . 73.43 111.207 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.431 HE21 ' HG3' ' A' ' 15' ' ' GLU . 24.2 tp60 -63.49 -46.47 86.0 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.449 1.1 . . . . 74.13 113.224 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 101' ' ' LYS . 48.1 mt-10 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.894 -0.41 . . . . 73.12 109.894 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 52' ' ' LYS . 19.5 mm -48.67 -51.55 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 O-C-N 124.321 1.013 . . . . 64.12 111.85 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -54.79 -48.43 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.101 0.961 . . . . 70.05 111.201 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' HG3' HE21 ' A' ' 11' ' ' GLN . 45.1 mt-10 -67.65 -36.62 81.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.874 0.869 . . . . 74.31 112.03 -174.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 17.3 mm-40 -68.48 -47.38 67.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 74.13 111.604 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.567 HG13 HG11 ' A' ' 108' ' ' VAL . 69.2 t -70.11 -36.83 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.662 -0.699 . . . . 74.23 111.033 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -62.09 -47.07 86.29 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.57 0.748 . . . . 63.32 110.885 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -66.33 -47.36 73.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.464 0.706 . . . . 74.01 110.881 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.6 tppt? -55.39 -53.08 60.73 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.756 0.66 . . . . 70.42 110.502 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.89 88.97 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.576 0.548 . . . . 55.42 112.19 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.2 -49.05 73.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.846 0.858 . . . . 62.52 110.88 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.85 -33.99 75.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.734 -0.666 . . . . 62.32 112.067 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 19.1 mm-40 -80.72 -21.43 41.21 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.347 0.259 . . . . 75.12 111.272 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.18 9.54 59.24 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 114.481 0.552 . . . . 64.01 114.481 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -74.34 132.71 42.28 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 117.526 0.663 . . . . 65.43 109.937 172.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.02 105.47 17.84 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 112' ' ' LEU . 14.4 mt -121.13 119.79 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 122.885 0.474 . . . . 74.51 110.173 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.1 tp60 -82.86 110.43 17.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.563 -0.903 . . . . 60.12 108.563 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 6' ' ' PHE . 36.3 p -97.18 138.01 35.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.898 0.479 . . . . 63.22 109.747 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 t -149.96 163.76 37.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.884 0.874 . . . . 72.44 109.806 -175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.55 -30.16 4.91 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.06 0.944 . . . . 62.44 109.16 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.25 109.36 7.68 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.411 0.684 . . . . 72.43 110.41 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -67.37 -30.62 70.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.282 0.633 . . . . 73.13 112.055 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -61.05 -42.55 98.69 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.344 0.658 . . . . 71.13 110.957 -172.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.9 tp10 -57.82 -52.14 66.69 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.307 1.005 . . . . 74.31 109.733 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.489 HD12 HG11 ' A' ' 5' ' ' VAL . 36.8 mm -66.01 -39.31 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.749 -1.114 . . . . 74.14 112.213 -171.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HG3' ' A' ' 65' ' ' GLN . 91.4 mt -59.52 -41.56 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.322 1.049 . . . . 71.24 109.977 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 31.0 t70 -75.86 -26.57 57.24 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.354 -0.839 . . . . 72.41 111.397 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 52.4 mtp85 -72.69 -33.11 66.27 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 109.781 -0.452 . . . . 64.32 109.781 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 mt -68.59 -31.31 70.4 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.883 -0.599 . . . . 63.12 109.963 172.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 8.9 mtpm? -66.46 -34.18 77.36 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.492 0.717 . . . . 62.34 111.474 169.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 60.5 mtt180 -77.32 -7.24 55.69 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.294 0.637 . . . . 63.43 111.33 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 63.76 17.91 10.79 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.397 1.079 . . . . 74.42 110.506 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -68.71 -28.81 67.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.527 . . . . 71.24 112.144 -168.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.489 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.4 mt -100.49 124.16 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.385 -0.825 . . . . 74.32 110.166 -170.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 8.3 t70 -84.6 -37.68 20.83 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.839 0.855 . . . . 74.02 110.411 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 19.4 ptm -151.41 140.2 20.85 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.658 -1.156 . . . . 75.52 109.067 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.489 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.6 tt -140.21 141.39 33.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.629 0.772 . . . . 65.43 109.367 -172.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 74' ' ' LEU . 64.6 mt -126.04 118.0 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.072 -1.085 . . . . 73.44 108.072 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 62' ' ' ILE . 35.8 t -108.13 109.72 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 123.267 0.627 . . . . 74.22 109.435 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 13' ' ' ILE . 23.4 tptp -96.93 109.36 22.11 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.375 -0.972 . . . . 64.15 108.375 170.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.488 HG22 HG12 ' A' ' 51' ' ' VAL . 9.2 t -169.28 157.03 7.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.66 0.784 . . . . 75.24 109.735 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -102.09 -5.57 24.34 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.683 0.793 . . . . 74.13 109.023 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.41 109.26 14.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.537 0.735 . . . . 74.03 109.971 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -59.54 -31.84 69.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.007 1.323 . . . . 75.41 112.564 -174.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.359 0.664 . . . . 65.22 111.191 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 m -63.11 -47.9 80.82 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.921 0.391 . . . . 74.41 110.041 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 75' ' ' ILE . 87.6 mt -58.26 -49.13 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 114.858 -1.064 . . . . 73.55 110.622 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 26.2 t -57.05 -56.01 27.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.105 0.962 . . . . 50.45 111.712 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 27.4 mm-40 -59.69 -49.83 76.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.446 0.698 . . . . 61.31 111.653 -174.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.1 -48.19 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 118.9 -0.572 . . . . 65.43 110.864 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 90.7 mt -55.44 -45.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 123.206 0.316 . . . . 74.35 110.646 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 60' ' ' SER . 92.8 mttt -55.88 -45.17 78.63 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.922 0.764 . . . . 74.44 110.93 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.9 mm100 -67.99 -32.84 73.53 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.105 -0.952 . . . . 74.21 111.99 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 73' ' ' VAL . 92.0 t -74.64 -35.66 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.28 0.632 . . . . 72.21 110.63 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.8 mt -59.91 -37.53 79.7 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.046 0.539 . . . . 72.24 109.642 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.18 -42.25 80.22 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.133 -0.94 . . . . 71.32 111.34 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 t -88.78 -13.16 40.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.059 0.544 . . . . 54.44 112.157 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 22.58 75.84 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 114.135 0.414 . . . . 64.02 114.135 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -81.5 164.42 21.99 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 71.41 111.585 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -79.03 124.42 28.26 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.446 -0.946 . . . . 74.32 108.446 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.635 ' HB ' HG11 ' A' ' 66' ' ' VAL . 4.7 p -121.84 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.989 0.423 . . . . 71.23 110.775 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.556 HD13 ' HG3' ' A' ' 94' ' ' GLU . 27.5 tp -118.96 120.87 38.55 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.53 -0.915 . . . . 64.44 108.53 173.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 95' ' ' THR . 50.4 mm -100.66 114.88 40.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.843 -0.799 . . . . 64.13 108.843 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 98.3 mt -108.87 120.05 41.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.252 -1.018 . . . . 64.2 108.252 175.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -139.23 141.68 37.87 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.961 -0.755 . . . . 72.33 108.961 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.0 m -66.67 -26.88 67.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.333 0.653 . . . . 71.51 111.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.15 119.42 34.6 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 121.723 0.773 . . . . 73.35 110.403 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.502 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 12.1 pt-20 -75.11 -14.21 60.55 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.161 -0.927 . . . . 54.31 111.429 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.17 -27.69 38.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.963 -0.384 . . . . 71.31 109.963 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HE2' ' A' ' 56' ' ' LYS . 78.3 mt -62.28 -54.61 31.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 N-CA-C 107.413 -1.328 . . . . 75.11 107.413 165.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 95' ' ' THR . 41.2 mm -50.67 -47.05 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 O-C-N 124.498 1.124 . . . . 63.44 111.595 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.89 -39.26 83.67 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.31 0.644 . . . . 74.55 112.029 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.9 p -71.11 -33.49 70.19 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.725 0.297 . . . . 62.41 111.286 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.587 HG22 HG11 ' A' ' 93' ' ' VAL . 41.8 mm -68.65 -33.34 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.314 0.646 . . . . 64.42 110.246 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -69.54 -41.36 76.04 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.637 0.775 . . . . 75.32 112.136 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -73.68 -36.8 65.34 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 117.866 0.303 . . . . 73.53 110.914 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.55 -48.28 41.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.926 0.49 . . . . 74.54 110.373 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . 48.2 m-85 -115.68 101.01 54.15 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.367 -0.975 . . . . 72.15 108.367 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -65.25 -32.77 50.88 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.365 2.043 . . . . 73.32 113.956 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -102.74 6.82 39.64 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.037 0.754 . . . . 73.23 113.037 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 HG22 ' A' ' 86' ' ' ILE . 10.6 p -76.76 145.33 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.955 -0.387 . . . . 71.51 109.955 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HG3' HD13 ' A' ' 74' ' ' LEU . 11.9 tp10 -92.86 132.95 36.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.62 -0.881 . . . . 63.43 108.62 172.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.4 p -144.23 152.83 41.38 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.403 0.681 . . . . 32.44 109.513 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -160.47 139.12 10.27 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 49.9 ttp180 -68.75 129.72 40.74 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.507 -0.923 . . . . 70.23 108.507 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -144.65 107.29 4.43 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.072 -1.085 . . . . 71.41 108.072 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -94.54 -54.26 3.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.686 . . . . 73.41 110.015 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.0 t70 -95.91 154.99 16.94 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.753 -0.658 . . . . 71.51 110.185 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.6 pttm -60.89 -29.79 69.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.016 1.326 . . . . 72.22 112.558 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.1 pt-20 -69.92 -42.04 73.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.354 0.409 . . . . 73.24 111.039 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.79 -33.32 75.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.028 0.531 . . . . 75.41 111.526 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 13' ' ' ILE . 99.2 t -72.41 -51.48 28.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 116.257 -0.429 . . . . 61.14 110.755 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.589 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 pttt -65.56 -31.67 72.84 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.355 0.409 . . . . 74.44 111.2 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.74 -46.49 87.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.714 0.806 . . . . 71.34 111.33 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.42 72.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.222 0.609 . . . . 73.35 111.768 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.567 HG11 HG13 ' A' ' 17' ' ' VAL . 71.0 t -69.19 -54.21 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.27 0.628 . . . . 72.14 109.934 174.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.69 -49.25 65.68 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.169 0.988 . . . . 74.31 111.472 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.91 -43.72 98.16 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.877 -1.056 . . . . 73.24 111.014 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.51 -37.86 87.69 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.814 0.846 . . . . 74.44 110.974 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 28' ' ' ILE . 72.9 mt -72.03 -42.86 65.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.989 0.916 . . . . 74.51 111.498 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -70.3 -36.79 74.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.817 0.447 . . . . 63.03 111.13 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 122.927 0.491 . . . . 71.33 111.562 175.507 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 tptt . . . . . 0 C--O 1.241 0.649 0 N-CA-C 109.749 -0.463 . . . . 74.01 109.749 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.59 121.73 45.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.297 -1.001 . . . . 62.14 108.297 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.8 137.23 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.232 0.613 . . . . 71.1 109.825 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.436 ' HB3' HG22 ' A' ' 30' ' ' THR . 68.3 t80 -111.55 111.45 22.46 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.235 -0.654 . . . . 72.2 109.235 170.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 HG13 ' A' ' 37' ' ' ILE . 51.8 tp -95.83 136.37 36.33 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.757 -0.831 . . . . 72.23 108.757 171.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 41.4 t -159.58 137.92 10.48 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.703 0.801 . . . . 72.41 109.528 172.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.37 -25.92 58.08 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.5 0.72 . . . . 71.24 111.205 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.05 130.42 46.2 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.185 0.594 . . . . 72.31 109.963 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 14' ' ' ILE . 24.9 tp60 -65.21 -41.14 94.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.361 1.064 . . . . 74.45 112.222 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.53 -32.2 73.4 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.686 0.394 . . . . 71.1 110.733 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' HG2' ' A' ' 52' ' ' LYS . 28.8 mm -64.07 -48.35 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 O-C-N 123.985 0.803 . . . . 64.14 109.45 173.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 11' ' ' GLN . 92.3 mt -56.07 -42.18 71.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-N 114.565 -1.198 . . . . 72.25 110.222 178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 48.5 mt-10 -70.37 -34.4 72.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.913 0.885 . . . . 74.43 111.786 -175.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.4 mm-40 -63.9 -47.8 79.16 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.499 0.499 . . . . 62.33 110.879 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 105' ' ' LYS . 97.4 t -71.01 -43.61 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.172 -0.922 . . . . 52.21 111.176 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -63.76 -44.01 94.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.435 1.094 . . . . 55.52 111.136 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 24.7 tptp -64.22 -48.01 77.5 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 123.769 0.668 . . . . 74.24 111.192 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -70.22 -32.76 70.78 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.6 0.563 . . . . 75.13 111.331 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -35.93 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.896 -0.593 . . . . 53.13 110.074 173.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.7 -44.38 86.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.515 0.726 . . . . 64.54 110.307 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 9.0 mm-40 -57.14 -42.98 82.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.406 0.682 . . . . 50.03 111.755 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -92.11 -10.82 37.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.94 -0.573 . . . . 73.44 112.453 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.37 21.39 73.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.937 -0.368 . . . . 52.41 113.659 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.27 111.89 4.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.755 0.822 . . . . 74.42 110.074 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 87.58 2.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.277 0.631 . . . . 71.41 109.503 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.31 123.42 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.203 -0.908 . . . . 73.03 109.645 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -82.5 119.88 24.78 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.407 -0.96 . . . . 75.43 108.407 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.1 p -100.37 142.45 31.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.189 0.595 . . . . 63.35 110.116 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 37' ' ' ILE . 35.9 t -147.84 153.12 38.74 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.758 0.823 . . . . 73.1 109.606 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 8' ' ' SER . 39.8 t-20 -104.88 -45.3 4.6 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.399 1.08 . . . . 63.31 108.904 171.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.63 111.4 7.75 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.638 0.775 . . . . 73.24 110.531 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 58' ' ' SER . 0.0 OUTLIER -69.4 -21.99 63.73 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.521 -0.763 . . . . 71.22 112.217 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -65.3 -38.81 91.37 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.079 0.399 . . . . 51.42 110.512 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.65 -47.84 84.46 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.235 1.014 . . . . 43.42 110.355 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.501 HG13 HD13 ' A' ' 7' ' ' LEU . 42.8 mm -59.39 -52.6 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 114.455 -1.248 . . . . 74.42 111.963 -175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 91.3 mt -60.14 -36.52 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 73.53 110.274 -177.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 17.9 t70 -62.62 -46.9 86.11 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.31 1.006 . . . . 60.4 110.873 175.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.3 -31.13 70.34 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.895 0.478 . . . . 74.3 110.989 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 94.9 mt -68.55 -34.27 75.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.366 0.666 . . . . 72.25 110.862 174.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 66.5 mttm -58.49 -40.06 81.75 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.318 0.647 . . . . 73.51 110.517 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 45.7 mtt180 -88.21 -7.72 56.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.959 -1.019 . . . . 73.42 111.48 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER 63.1 30.99 16.08 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.488 1.115 . . . . 75.53 109.664 -175.06 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -66.72 -30.25 70.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.582 0.753 . . . . 73.14 110.873 174.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' A' ' 41' ' ' LEU . 49.6 mt -102.28 127.6 55.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.776 0.83 . . . . 73.32 109.292 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.85 -33.69 12.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.63 0.772 . . . . 42.31 111.063 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 20.7 ptm -151.38 137.61 18.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.697 0.799 . . . . 75.4 108.962 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 12.9 tt -142.72 149.4 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.164 0.507 . . . . 74.34 110.687 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.634 HD13 ' HA ' ' A' ' 108' ' ' VAL . 70.6 mt -127.78 116.46 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.105 -1.072 . . . . 71.24 108.105 176.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 62' ' ' ILE . 57.4 t -107.55 111.98 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.197 0.999 . . . . 74.04 110.02 -175.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.7 tptp -103.76 107.07 17.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.73 -0.841 . . . . 71.53 108.73 171.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.7 t -171.35 162.63 6.81 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.909 0.883 . . . . 52.45 108.654 172.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -101.91 -4.67 25.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.578 0.751 . . . . 73.2 110.038 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -70.94 92.02 0.9 Allowed 'General case' 0 C--N 1.348 0.524 0 N-CA-C 109.214 -0.661 . . . . 60.12 109.214 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -55.67 -31.77 62.68 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.321 1.048 . . . . 63.0 112.419 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.9 mt-10 -60.95 -47.49 86.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.878 0.871 . . . . 72.31 111.434 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 78.1 p -69.61 -51.78 31.93 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.217 -0.29 . . . . 75.22 110.217 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 75' ' ' ILE . 86.5 mt -46.53 -55.37 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 124.635 1.209 . . . . 74.12 111.285 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -54.06 -51.89 62.64 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 124.766 1.291 . . . . 73.14 111.19 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 47.8 mm-40 -61.64 -41.78 97.98 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.918 0.761 . . . . 72.4 111.774 -176.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.48 -51.01 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 123.473 0.483 . . . . 72.45 109.996 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 59.7 mt -59.13 -45.23 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 123.737 0.648 . . . . 74.3 110.703 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -55.86 -44.09 77.72 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.972 0.909 . . . . 73.01 110.447 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 16.6 mm100 -68.44 -35.16 77.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.752 -1.113 . . . . 72.41 111.251 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.493 HG21 ' HB ' ' A' ' 73' ' ' VAL . 57.1 t -71.3 -30.5 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.442 0.697 . . . . 73.53 110.673 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 85.4 mt -66.72 -40.21 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.102 0.561 . . . . 62.24 109.868 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.09 -41.76 73.65 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.49 0.716 . . . . 53.35 111.363 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB2' ' HG2' ' A' ' 44' ' ' ARG . 79.8 p -79.72 -25.02 41.25 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.191 0.597 . . . . 75.32 111.194 -173.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.15 43.88 69.44 Favored Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.245 -0.742 . . . . 72.11 111.245 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.45 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -100.29 -173.58 2.46 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.996 0.918 . . . . 62.32 110.604 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.3 mppt? -105.28 145.19 31.02 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.562 -0.903 . . . . 51.24 108.562 169.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 7.7 p -145.67 137.3 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 122.835 0.454 . . . . 74.41 111.191 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.34 133.2 56.25 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.124 -1.065 . . . . 75.11 108.124 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 59' ' ' ILE . 39.8 mm -111.57 117.76 55.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.057 -0.72 . . . . 74.33 109.057 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.8 mt -116.57 126.32 53.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.476 1.11 . . . . 64.4 108.434 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.41 ' H ' HD11 ' A' ' 83' ' ' ILE . 11.8 m -145.25 144.37 30.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.794 -1.187 . . . . 71.1 107.794 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -67.77 -42.75 81.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.749 0.42 . . . . 72.33 110.317 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.02 119.26 18.95 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.648 0.779 . . . . 54.24 111.188 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.81 69.49 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.2 1.0 . . . . 51.3 112.371 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -62.61 -41.93 99.28 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.285 0.634 . . . . 73.31 110.112 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' HG12 ' A' ' 86' ' ' ILE . 73.2 mt -72.36 -43.53 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.19 -0.914 . . . . 74.44 110.455 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.635 HG22 ' HE ' ' A' ' 87' ' ' ARG . 39.9 mm -60.5 -41.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.4 0.28 . . . . 64.22 110.981 176.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.6 -45.63 93.28 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.579 0.752 . . . . 75.05 110.45 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.628 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 54.3 m -58.91 -46.53 87.7 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 123.86 0.725 . . . . 74.54 111.657 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 82' ' ' ILE . 32.8 mm -67.74 -32.38 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 122.694 0.398 . . . . 74.33 110.81 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.635 ' HE ' HG22 ' A' ' 83' ' ' ILE . 51.5 mtm180 -69.9 -40.84 75.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.824 0.45 . . . . 75.21 112.05 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.1 pttt -81.86 -33.87 30.4 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 111.617 0.228 . . . . 65.01 111.617 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.84 -36.76 59.52 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.973 0.416 . . . . 65.2 110.222 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 93' ' ' VAL . 58.9 m-85 -133.04 95.3 18.95 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 124.007 0.923 . . . . 70.34 109.141 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.74 -26.72 11.2 Favored 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 121.987 1.791 . . . . 73.32 113.068 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.88 1.94 50.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.448 0.699 . . . . 73.22 112.784 -171.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 9.1 p -92.72 148.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.058 0.543 . . . . 74.05 109.941 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -78.58 134.57 37.21 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 108.958 -0.756 . . . . 73.31 108.958 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 75' ' ' ILE . 12.1 p -141.64 148.14 38.7 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.872 0.869 . . . . 75.51 109.657 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -158.87 141.29 14.07 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.976 0.91 . . . . 71.14 108.738 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -71.03 126.27 29.12 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.738 -0.838 . . . . 75.52 108.738 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.59 103.49 4.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.206 -1.035 . . . . 60.35 108.206 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -96.6 -42.33 8.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.872 0.869 . . . . 75.21 110.243 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -92.04 149.8 21.32 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.992 -0.744 . . . . 72.51 108.992 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.488 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -62.8 -25.68 68.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.97 0.908 . . . . 74.22 112.236 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.45 -44.18 83.49 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 109.148 -0.686 . . . . 70.02 109.148 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.33 -36.44 71.15 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 123.49 0.716 . . . . 72.22 111.031 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 108' ' ' VAL . 39.3 t -65.71 -58.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 124.23 0.956 . . . . 64.35 110.447 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.556 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.3 pttt -64.63 -32.36 73.99 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.791 0.682 . . . . 75.22 111.503 -174.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.24 -55.17 36.95 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 123.432 0.458 . . . . 73.34 110.841 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.69 71.0 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.879 0.737 . . . . 72.24 111.766 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.634 ' HA ' HD13 ' A' ' 50' ' ' ILE . 53.6 t -62.36 -55.98 20.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.783 0.833 . . . . 75.24 109.861 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 42.9 tt0 -64.2 -37.06 86.13 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.536 -0.757 . . . . 63.03 110.941 -176.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.04 -37.83 88.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.5 0.72 . . . . 73.01 110.474 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -63.72 -35.82 81.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.481 0.712 . . . . 64.53 109.937 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 68.1 mt -72.14 -40.71 67.87 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.068 -0.969 . . . . 72.11 110.957 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.562 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 99.3 mttt -61.21 -41.14 96.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.703 0.801 . . . . 75.24 112.441 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.479 0.995 0 C-N-CA 122.868 0.467 . . . . 64.23 112.088 -177.067 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 C--O 1.243 0.747 0 N-CA-C 109.066 -0.716 . . . . 74.13 109.066 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 28' ' ' ILE . 20.2 t -88.27 129.75 38.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 108.166 -1.05 . . . . 64.54 108.166 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.6 t -122.07 114.21 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 108.702 -0.851 . . . . 75.34 108.702 171.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' THR . 75.6 t80 -92.84 104.26 16.53 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.518 0.675 . . . . 64.33 109.412 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.3 tp -101.89 131.07 48.47 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.913 1.285 . . . . 73.21 108.72 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 62.0 m -151.58 155.48 38.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.0 0.52 . . . . 74.21 111.734 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.11 -41.48 17.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.419 1.088 . . . . 71.14 111.052 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.61 134.83 34.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.162 0.585 . . . . 73.03 110.405 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -71.24 -41.18 70.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.137 0.975 . . . . 72.44 112.516 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.73 -36.2 71.72 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.12 0.568 . . . . 74.42 110.268 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.641 HD12 HG21 ' A' ' 104' ' ' VAL . 48.6 mm -62.63 -53.13 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 114.902 -1.045 . . . . 52.54 110.473 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.82 -44.79 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.33 1.052 . . . . 74.03 110.885 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.11 -45.43 85.16 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.12 111.804 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 20.6 mm-40 -65.49 -42.4 92.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.716 0.806 . . . . 74.32 112.032 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.22 -37.79 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 115.874 -0.603 . . . . 71.3 111.141 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -64.87 -35.73 82.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.733 0.813 . . . . 65.53 110.852 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -66.57 -42.69 86.65 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.209 -0.905 . . . . 74.33 110.057 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -65.24 -38.53 90.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.115 -0.493 . . . . 74.41 111.269 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -62.25 -30.59 71.22 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 71.52 111.195 177.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.64 -54.68 8.39 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 65.1 111.183 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.06 -45.96 89.74 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.201 1.0 . . . . 73.2 112.069 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.81 -23.91 59.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.522 0.729 . . . . 75.13 110.992 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.43 32.01 52.74 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.349 -0.387 . . . . 53.43 113.135 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.05 140.41 47.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.296 0.638 . . . . 61.43 110.03 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -87.73 85.55 7.07 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.034 -0.728 . . . . 62.25 109.034 173.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 21' ' ' ALA . 24.5 mt -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 115.606 -0.725 . . . . 62.5 109.649 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 5' ' ' VAL . 59.2 tp60 -91.82 114.54 27.11 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 107.922 -1.14 . . . . 64.51 107.922 165.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 6' ' ' PHE . 43.8 p -97.06 146.15 25.29 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.294 -0.632 . . . . 50.14 109.294 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -160.15 162.1 33.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.158 0.583 . . . . 74.42 110.904 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' SER . 24.2 t-20 -112.42 -47.38 3.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.384 1.074 . . . . 72.3 109.631 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.15 98.66 1.37 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.605 -1.179 . . . . 64.11 111.019 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 7.7 ptpp? -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.835 -1.075 . . . . 73.23 113.484 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.35 -22.22 63.77 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.345 0.403 . . . . 72.45 111.074 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 8.2 tp10 -67.34 -43.65 81.03 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.695 0.798 . . . . 64.13 109.904 170.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -77.62 -35.02 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.104 . . . . 75.13 111.748 -175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 65' ' ' GLN . 71.2 mt -58.98 -34.65 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.567 1.147 . . . . 73.33 109.712 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 14.7 t70 -63.7 -36.81 85.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.711 0.805 . . . . 73.21 110.801 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 36' ' ' GLU . 64.6 mtt85 -81.59 -23.67 36.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.642 . . . . 71.11 111.575 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.69 -31.92 68.98 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.229 0.611 . . . . 75.55 110.107 168.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 55.1 mtpt -70.22 -29.1 65.84 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.047 0.939 . . . . 74.53 110.736 172.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 75.5 mtt180 -78.32 -15.77 58.4 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 71.41 111.048 174.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 24.12 13.66 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.297 1.039 . . . . 74.24 111.041 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -99.34 10.68 40.95 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.52 0.728 . . . . 71.44 112.433 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.97 129.54 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 108.402 -0.962 . . . . 65.42 108.402 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -84.0 -47.39 11.03 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.603 0.716 . . . . 71.14 110.098 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 ptm -145.49 137.41 25.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.042 -0.981 . . . . 65.14 109.384 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 tt -131.02 145.74 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.921 0.888 . . . . 74.12 109.213 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 108' ' ' VAL . 61.6 mt -123.83 132.06 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.683 1.193 . . . . 71.33 107.939 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.23 109.93 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.969 -0.752 . . . . 74.23 108.969 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 25.3 tptp -108.02 107.48 18.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.577 0.703 . . . . 74.2 109.148 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -150.99 -161.37 1.32 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.075 -1.454 . . . . 72.42 107.075 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -146.09 33.04 1.0 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -132.63 113.09 12.61 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.504 0.722 . . . . 64.34 109.898 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -58.64 -31.06 67.77 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.412 1.085 . . . . 75.23 112.498 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.97 -48.03 59.91 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.635 0.774 . . . . 74.55 110.719 -173.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.676 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . 46.0 p -66.72 -40.33 88.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.717 0.807 . . . . 60.32 111.073 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 75' ' ' ILE . 92.2 mt -54.63 -48.25 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 O-C-N 124.283 0.989 . . . . 74.33 110.202 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.4 t -59.74 -35.55 74.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.773 1.229 . . . . 72.24 111.962 -174.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.39 -48.83 73.97 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.222 0.609 . . . . 72.43 111.199 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.8 mp -61.2 -44.94 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 115.509 -0.769 . . . . 74.53 109.79 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 60.4 mt -58.74 -40.92 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 123.658 0.599 . . . . 64.12 110.96 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' SER . 64.2 mttp -56.2 -47.27 78.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.34 110.061 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HG3' HG23 ' A' ' 38' ' ' ILE . 13.3 mm100 -65.24 -33.25 75.54 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 115.193 -0.912 . . . . 71.42 111.686 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.624 HG11 ' HB ' ' A' ' 73' ' ' VAL . 95.7 t -79.45 -22.95 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.3 0.64 . . . . 64.11 110.904 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.8 mt -70.73 -34.09 71.52 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.246 -0.65 . . . . 73.35 109.246 173.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -73.0 -38.95 66.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.901 0.88 . . . . 73.22 111.777 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 70.8 p -85.72 -32.73 21.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.829 0.452 . . . . 61.23 111.805 -175.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.81 26.01 65.84 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.883 -0.599 . . . . 43.24 113.037 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.8 172.02 14.34 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.748 0.819 . . . . 55.34 111.534 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -83.59 120.67 26.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.95 -1.129 . . . . 65.32 107.95 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' HG11 ' A' ' 66' ' ' VAL . 6.1 p -118.02 132.77 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.875 0.47 . . . . 74.44 110.251 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.41 129.41 56.55 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.264 -1.013 . . . . 64.04 108.264 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.592 HD12 HG23 ' A' ' 59' ' ' ILE . 36.6 mm -115.45 108.55 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.583 -0.895 . . . . 64.44 108.583 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.5 mt -104.05 124.08 48.4 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.221 1.008 . . . . 64.11 108.635 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.3 m -139.13 148.18 42.9 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.679 -0.86 . . . . 75.04 108.679 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -83.4 10.53 8.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.104 0.562 . . . . 72.53 112.269 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.49 130.04 36.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.253 0.621 . . . . 72.13 110.394 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.35 -35.15 78.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.711 1.204 . . . . 73.53 113.04 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -76.99 -32.95 57.59 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.884 0.474 . . . . 54.54 110.416 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 56' ' ' LYS . 52.7 mt -66.88 -47.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.621 0.768 . . . . 64.43 109.81 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 30.3 mm -56.24 -44.17 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.404 0.681 . . . . 73.34 110.038 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.1 -41.23 99.33 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.994 0.917 . . . . 61.23 111.366 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.467 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.8 m -60.26 -44.39 95.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.22 0.608 . . . . 71.3 111.028 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 HG11 ' A' ' 93' ' ' VAL . 47.7 mm -69.39 -31.23 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.635 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 21.3 mtm180 -69.58 -42.43 74.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.127 0.571 . . . . 74.54 112.266 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 62.0 pttt -80.93 -36.7 30.66 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.865 0.32 . . . . 75.24 111.865 -174.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.19 -40.46 71.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.87 0.468 . . . . 72.42 110.677 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 93' ' ' VAL . 12.3 m-85 -122.18 101.84 40.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 108.308 -0.997 . . . . 71.24 108.308 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.14 -32.81 26.6 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.321 2.014 . . . . 75.35 113.563 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -102.41 15.18 29.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.007 0.743 . . . . 73.21 113.007 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.55 HG11 HG22 ' A' ' 86' ' ' ILE . 14.7 p -85.37 146.73 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.577 -0.527 . . . . 72.41 109.577 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -91.26 114.17 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.741 -1.207 . . . . 64.13 107.741 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.2 p -118.37 152.95 34.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.223 0.609 . . . . 73.43 109.828 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -160.04 134.51 7.58 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.185 -1.043 . . . . 73.44 108.185 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.09 138.83 54.64 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.188 -0.671 . . . . 71.21 109.188 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.525 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.88 116.71 6.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.114 -1.439 . . . . 71.12 107.114 173.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -96.27 -57.28 2.37 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.124 0.488 . . . . 74.24 109.847 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 t70 -91.93 159.72 15.62 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.519 -0.764 . . . . 54.14 110.509 -176.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.83 -32.83 73.19 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.159 1.384 . . . . 70.3 112.578 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.1 pt-20 -67.81 -41.01 83.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.636 0.775 . . . . 73.02 110.435 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.1 -40.39 93.56 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.702 0.801 . . . . 65.12 110.842 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.641 HG21 HD12 ' A' ' 13' ' ' ILE . 57.9 t -67.07 -51.64 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.881 0.738 . . . . 72.5 111.176 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 59.1 pttt -68.52 -32.16 71.91 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.172 0.434 . . . . 74.21 112.172 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -65.57 -38.21 88.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.402 0.281 . . . . 73.21 111.218 170.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.58 95.0 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.338 0.655 . . . . 40.41 110.749 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 57.2 t -62.63 -48.86 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.124 0.97 . . . . 62.51 110.034 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 31.1 tt0 -55.72 -46.42 77.73 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.921 -1.036 . . . . 55.54 111.034 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.11 -35.53 69.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.508 0.723 . . . . 75.41 111.934 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.12 -34.41 74.94 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.538 0.735 . . . . 62.14 109.941 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 34.3 mt -83.77 -45.14 13.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.683 -0.689 . . . . 75.32 112.235 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 63.0 mttm -64.46 -32.92 74.75 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 120.672 0.273 . . . . 74.34 111.67 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 123.152 0.581 . . . . 72.34 111.121 179.199 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 53.4 tptt . . . . . 0 C--O 1.241 0.611 0 N-CA-C 110.416 -0.216 . . . . 75.21 110.416 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.41 118.52 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.927 -1.138 . . . . 54.25 107.927 170.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 37' ' ' ILE . 77.5 t -119.74 134.44 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.551 0.741 . . . . 74.42 109.5 175.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.5 t80 -107.86 117.29 33.73 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.007 -0.738 . . . . 71.21 109.007 165.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 58.9 tp -102.78 138.07 40.15 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.78 -0.822 . . . . 73.52 108.78 172.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.432 ' HB3' HG12 ' A' ' 14' ' ' ILE . 40.1 t -156.31 161.6 40.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.488 0.715 . . . . 70.43 109.575 172.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.57 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 34.6 t70 -99.85 -29.71 12.45 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.489 0.661 . . . . 73.52 110.148 174.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.44 116.08 21.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.681 -1.145 . . . . 73.44 109.003 -171.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -54.39 -49.37 70.05 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.819 0.847 . . . . 74.52 112.942 -172.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.86 -54.62 42.38 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.916 0.76 . . . . 65.01 110.237 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 HG11 ' A' ' 104' ' ' VAL . 29.9 mm -46.55 -49.08 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 124.723 1.264 . . . . 60.12 113.294 176.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 8' ' ' SER . 68.0 mt -57.21 -47.16 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.161 0.584 . . . . 74.14 110.205 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.13 -27.27 62.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.999 0.92 . . . . 73.11 112.199 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.612 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 10.7 mm-40 -74.6 -44.01 52.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.451 0.7 . . . . 75.3 110.928 -178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.444 HG13 HG11 ' A' ' 108' ' ' VAL . 97.0 t -75.32 -33.16 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.382 -0.826 . . . . 71.03 110.47 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -68.38 -42.59 78.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.126 0.57 . . . . 74.3 110.717 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -60.3 -46.87 88.34 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.411 -0.589 . . . . 73.23 109.411 175.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 28.5 ttmt -67.37 -29.04 68.46 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.661 -0.699 . . . . 71.32 111.718 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.89 99.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.481 0.313 . . . . 74.11 110.251 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.54 -50.02 60.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.013 0.525 . . . . 74.42 111.253 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.52 -48.25 77.63 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.466 1.106 . . . . 75.11 112.035 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -81.33 -20.07 41.48 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.303 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.32 6.29 68.83 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-O 119.633 -0.537 . . . . 64.34 113.189 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.69 129.15 38.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.557 0.743 . . . . 74.45 110.226 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -79.12 89.39 4.83 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.492 -0.929 . . . . 72.51 108.492 168.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.2 116.89 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.142 -0.688 . . . . 73.45 109.142 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.45 107.46 8.73 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.738 -0.838 . . . . 62.24 108.738 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 6' ' ' PHE . 10.8 p -97.39 126.66 42.77 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.277 0.631 . . . . 63.12 109.54 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -148.35 159.34 44.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.173 0.589 . . . . 64.44 111.124 -167.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.57 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -114.52 -9.19 12.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.388 1.075 . . . . 65.14 109.073 170.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 37' ' ' ILE . 11.0 m-20 -77.28 77.54 3.81 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.721 0.808 . . . . 74.03 110.027 -176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -59.87 -36.34 76.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.71 0.804 . . . . 64.4 109.915 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.93 -44.24 90.13 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.029 0.932 . . . . 72.32 110.965 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 25.4 tt0 -63.52 -45.05 92.42 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.629 0.581 . . . . 60.23 109.762 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.512 HD12 HG11 ' A' ' 5' ' ' VAL . 36.1 mm -64.25 -41.66 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.749 -0.66 . . . . 60.11 111.187 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.6 mt -58.21 -40.59 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.717 0.807 . . . . 74.53 110.339 174.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.85 -40.46 91.73 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.439 1.096 . . . . 72.24 111.193 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 23.9 mtp180 -73.13 -28.49 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.243 0.617 . . . . 73.33 110.685 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 46' ' ' ILE . 76.4 mt -73.36 -29.4 62.62 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.756 0.822 . . . . 74.12 110.738 173.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 97.1 mttt -66.55 -29.79 69.95 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.139 0.576 . . . . 75.1 110.592 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -81.56 -16.85 50.4 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.36 -0.836 . . . . 74.4 110.665 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 66.34 20.78 11.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.779 1.231 . . . . 72.22 111.319 -174.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.36 1.01 34.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.012 0.925 . . . . 72.24 112.479 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 66.3 mt -111.4 123.35 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 71.03 109.151 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -84.07 -36.36 23.1 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.817 0.847 . . . . 73.2 111.46 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.612 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 17.9 ptm -153.79 144.76 22.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.601 -0.727 . . . . 71.41 110.084 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.6 tt -142.88 145.13 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.495 0.718 . . . . 74.12 110.593 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.531 HD12 HG13 ' A' ' 108' ' ' VAL . 62.1 mt -128.31 122.54 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 108.088 -1.079 . . . . 63.14 108.088 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 62' ' ' ILE . 62.1 t -115.37 122.1 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.964 0.906 . . . . 61.32 110.347 -175.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.7 111.69 20.95 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.649 0.78 . . . . 73.44 110.036 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.417 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.8 t -170.48 166.13 8.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.293 1.037 . . . . 61.02 108.936 172.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -104.27 1.3 30.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.07 0.548 . . . . 72.35 110.142 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.24 88.84 1.52 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.748 -1.205 . . . . 75.54 107.748 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.9 mtpt -56.35 -34.12 66.32 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.485 1.114 . . . . 73.22 112.874 -176.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 44.5 mt-10 -63.09 -50.14 71.72 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.955 0.784 . . . . 63.14 110.614 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.4 p -66.51 -47.24 73.6 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.438 0.461 . . . . 74.14 110.798 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.522 HG23 HD12 ' A' ' 75' ' ' ILE . 86.4 mt -49.32 -51.36 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.131 0.894 . . . . 74.31 110.014 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -56.0 -47.96 76.78 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.445 -1.252 . . . . 75.03 111.902 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 13.8 mm-40 -61.84 -49.3 76.83 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.59 0.556 . . . . 72.22 110.963 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.496 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -54.01 -48.11 64.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 O-C-N 123.919 0.762 . . . . 65.11 110.752 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.8 mt -61.22 -42.1 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 122.672 0.389 . . . . 73.24 110.92 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.15 -41.61 79.48 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.245 0.618 . . . . 74.51 110.285 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 7.3 mm100 -65.97 -40.04 90.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.265 -0.88 . . . . 72.34 110.602 176.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' A' ' 71' ' ' ALA . 98.5 t -73.65 -26.51 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.789 0.836 . . . . 64.13 111.832 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 93.3 mt -65.83 -42.11 90.97 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.583 -0.895 . . . . 64.14 108.583 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.03 -32.46 67.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.518 -1.219 . . . . 52.22 110.865 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.647 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 9.5 t -82.36 -35.28 27.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.563 0.745 . . . . 42.42 111.735 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.71 27.48 58.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 116.062 -0.517 . . . . 44.55 113.508 -174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -87.53 162.41 17.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.538 0.735 . . . . 34.31 111.445 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.9 mppt? -83.79 111.17 18.95 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.151 -0.685 . . . . 75.1 109.151 173.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HG23 ' A' ' 93' ' ' VAL . 5.4 p -112.26 129.35 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.164 0.586 . . . . 74.13 111.137 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.507 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.0 tp -115.81 123.29 47.82 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.497 -0.927 . . . . 73.21 108.497 171.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' A' ' 95' ' ' THR . 42.1 mm -102.69 126.73 56.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 123.461 0.704 . . . . 73.24 109.31 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -123.56 132.96 54.03 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 124.82 1.248 . . . . 73.21 108.181 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -151.29 148.14 27.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 51.4 108.096 175.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -68.1 -16.24 63.93 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.069 0.548 . . . . 74.5 111.224 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -112.42 128.74 56.4 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.097 0.559 . . . . 65.42 111.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 12.5 pt-20 -80.84 -11.94 59.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.962 0.905 . . . . 64.11 112.851 -175.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -84.16 -31.39 25.18 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.102 -0.703 . . . . 60.32 109.102 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 56' ' ' LYS . 71.8 mt -65.57 -47.75 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.804 -0.813 . . . . 72.42 108.804 167.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.524 HG23 ' HB ' ' A' ' 95' ' ' THR . 24.8 mm -56.2 -39.98 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.416 -0.811 . . . . 65.2 111.395 174.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.67 -41.05 84.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.293 0.637 . . . . 75.12 111.169 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.8 m -58.56 -40.14 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.428 0.632 . . . . 55.33 110.664 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 93' ' ' VAL . 33.2 mm -70.94 -36.08 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 114.74 -1.118 . . . . 51.13 110.946 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.01 -44.2 89.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.174 0.589 . . . . 74.51 111.859 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.89 -34.49 29.96 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.707 0.403 . . . . 70.14 111.769 -170.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.2 -33.59 59.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.707 0.403 . . . . 74.41 111.002 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.59 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.7 m-85 -129.55 91.93 39.48 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.42 -0.956 . . . . 74.45 108.42 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.19 -25.66 36.9 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.216 1.944 . . . . 73.43 114.478 -175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -97.95 13.61 30.17 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.948 0.721 . . . . 75.24 112.948 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 73' ' ' VAL . 13.0 p -90.79 142.36 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 109.874 -0.417 . . . . 75.3 109.874 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -83.24 127.53 33.71 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.273 -1.01 . . . . 74.1 108.273 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 75' ' ' ILE . 68.3 p -132.49 156.95 45.85 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.105 0.562 . . . . 73.21 110.686 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -160.2 132.35 6.23 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.33 -0.989 . . . . 63.24 108.33 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.55 120.17 22.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.607 -0.886 . . . . 74.23 108.607 170.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.63 106.75 5.73 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.671 -1.233 . . . . 71.2 107.671 -172.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -93.72 -46.68 7.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.576 0.75 . . . . 71.42 110.177 -170.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 145.35 32.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.851 -1.068 . . . . 73.43 109.869 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 53.8 pttt -64.77 -28.92 69.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.885 0.874 . . . . 71.22 111.688 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -66.28 -41.76 89.39 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.634 -0.712 . . . . 72.13 110.235 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.88 -32.3 72.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.841 0.856 . . . . 73.53 112.321 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.462 HG11 HG23 ' A' ' 13' ' ' ILE . 80.6 t -72.44 -53.79 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.835 0.454 . . . . 61.32 110.752 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.612 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.5 pttt -66.21 -29.31 69.54 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.028 0.205 . . . . 74.12 110.863 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.17 -47.62 85.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.929 0.891 . . . . 74.31 111.182 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.61 81.04 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.347 0.659 . . . . 52.2 111.297 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HD12 ' A' ' 50' ' ' ILE . 82.6 t -65.15 -59.2 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.466 -0.788 . . . . 52.01 109.676 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.539 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 26.3 tt0 -47.82 -48.94 30.4 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.498 1.519 . . . . 73.41 111.629 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.58 -50.45 71.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 113.792 -1.549 . . . . 73.41 111.212 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -57.03 -32.7 66.44 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.326 1.05 . . . . 54.4 111.348 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 40.4 mt -78.38 -39.27 39.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.22 -0.9 . . . . 73.43 111.529 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 65.4 mttm -71.71 -28.48 63.72 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.767 0.427 . . . . 64.44 111.034 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.131 0.973 . . . . 75.01 111.204 178.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 120.531 0.205 . . . . 73.54 111.39 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -92.59 134.02 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.148 -1.056 . . . . 70.04 108.148 164.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 29' ' ' GLN . 58.4 t -126.78 126.91 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.266 0.626 . . . . 74.22 109.437 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 30' ' ' THR . 66.0 t80 -102.17 113.89 27.55 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.879 0.472 . . . . 74.24 110.473 174.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -95.97 147.27 23.86 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.116 -1.068 . . . . 74.23 108.116 166.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 43.6 t -154.35 171.66 18.93 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.011 0.524 . . . . 63.33 110.177 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.87 -35.25 6.7 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.814 1.246 . . . . 63.43 110.211 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.53 ' HB2' HG12 ' A' ' 13' ' ' ILE . 1.1 m-20 -94.71 130.79 41.07 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 73.41 109.517 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.421 HE21 ' HG3' ' A' ' 15' ' ' GLU . 23.9 tp60 -65.19 -39.9 93.5 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.895 0.878 . . . . 72.14 111.79 178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -50.5 -52.9 34.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.16 0.984 . . . . 64.52 110.952 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 104' ' ' VAL . 32.5 mm -53.7 -50.95 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 114.298 -1.319 . . . . 64.31 111.944 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 30' ' ' THR . 78.8 mt -54.52 -45.93 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.951 0.9 . . . . 71.05 110.575 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HG3' HE21 ' A' ' 11' ' ' GLN . 43.4 mt-10 -70.5 -31.21 68.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.057 -0.974 . . . . 60.22 111.98 -175.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 72.2 mm-40 -74.29 -38.66 63.32 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.823 0.449 . . . . 72.11 111.982 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG13 HG11 ' A' ' 108' ' ' VAL . 78.9 t -71.19 -36.49 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 122.841 0.456 . . . . 73.43 110.252 177.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -69.6 -35.94 75.75 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.462 0.705 . . . . 70.11 111.116 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -59.87 -51.99 67.35 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.434 1.094 . . . . 62.15 110.633 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 26.0 ttmt -69.96 -33.05 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.699 -0.682 . . . . 62.43 111.09 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -61.9 -37.21 83.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.747 0.419 . . . . 74.42 111.135 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.83 -54.67 17.22 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.981 0.912 . . . . 73.14 110.357 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.86 -37.12 86.21 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.102 0.961 . . . . 74.03 112.357 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -91.36 -9.27 45.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.662 0.785 . . . . 71.55 112.165 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.56 69.63 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.138 0.274 . . . . 52.4 113.498 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.8 m-85 -77.68 135.44 38.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.37 0.668 . . . . 74.3 111.252 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 101.99 7.88 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.465 -0.939 . . . . 64.13 108.465 166.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 21' ' ' ALA . 34.4 mt -135.38 137.28 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 108.831 -0.803 . . . . 64.25 108.831 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.537 ' HG2' HH22 ' A' ' 40' ' ' ARG . 6.7 tp-100 -107.19 114.36 28.35 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.35 -0.982 . . . . 74.33 108.35 171.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 6' ' ' PHE . 26.2 p -96.5 147.23 24.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.815 0.446 . . . . 74.13 110.752 -174.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 37' ' ' ILE . 38.4 t -159.48 166.34 31.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.673 0.789 . . . . 63.21 111.165 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -124.87 -5.67 7.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.05 1.34 . . . . 61.21 110.741 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -104.51 111.45 24.13 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.882 -0.512 . . . . 61.23 110.228 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -57.86 -40.81 81.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.1 0.96 . . . . 61.51 112.163 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -80.26 -23.74 40.59 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.871 0.468 . . . . 74.2 110.708 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.7 tp10 -57.29 -55.73 31.0 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.38 -0.971 . . . . 61.42 108.38 167.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 31' ' ' SER . 40.9 mm -63.8 -45.76 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 113.654 -1.612 . . . . 73.11 112.05 -174.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 ' HG3' ' A' ' 65' ' ' GLN . 87.5 mt -57.15 -41.5 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.118 0.967 . . . . 64.3 110.669 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 12.6 t70 -68.74 -33.74 74.44 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 123.708 0.63 . . . . 74.3 110.859 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.537 HH22 ' HG2' ' A' ' 29' ' ' GLN . 19.9 mtp180 -76.88 -29.39 55.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.683 0.793 . . . . 73.53 111.056 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.549 HD23 ' HB ' ' A' ' 46' ' ' ILE . 81.5 mt -64.18 -40.1 95.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.595 0.758 . . . . 44.11 109.352 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.24 -33.68 76.56 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.876 0.87 . . . . 71.12 111.645 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 93.5 mtt180 -71.13 -11.62 61.04 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.536 0.734 . . . . 71.45 111.114 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 67.35 20.98 9.89 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.283 1.433 . . . . 70.53 110.493 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -23.9 40.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.131 0.972 . . . . 55.24 112.347 -174.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.549 ' HB ' HD23 ' A' ' 41' ' ' LEU . 32.0 mt -100.33 117.16 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.828 -0.434 . . . . 75.01 109.828 -174.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.47 -35.21 17.15 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.2 1.0 . . . . 73.35 111.211 -176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -151.33 144.04 24.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.384 -0.825 . . . . 61.54 109.054 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -142.47 148.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.464 0.706 . . . . 72.14 110.245 -170.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -132.63 120.92 43.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 107.93 -1.137 . . . . 73.01 107.93 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 62' ' ' ILE . 58.8 t -117.65 120.01 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.707 0.803 . . . . 63.11 110.624 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.604 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.9 tptp -106.72 105.11 14.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.603 0.761 . . . . 71.33 109.736 174.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 51' ' ' VAL . 8.8 t -168.68 162.15 11.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.334 0.653 . . . . 64.45 110.444 175.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -103.12 -4.77 24.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.691 0.797 . . . . 61.21 111.004 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.4 96.72 4.73 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 109.053 -0.721 . . . . 73.41 109.053 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.469 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.7 mtpt -60.61 -28.36 68.45 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.884 -1.053 . . . . 70.05 112.759 -175.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -65.74 -42.64 90.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.887 0.475 . . . . 63.33 110.481 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -63.9 -52.28 60.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.171 0.588 . . . . 74.31 109.709 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 75' ' ' ILE . 75.4 mt -53.45 -47.96 58.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 124.799 1.312 . . . . 74.14 110.886 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.0 -54.65 40.31 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.39 1.056 . . . . 72.33 111.073 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.6 -39.77 95.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.681 0.613 . . . . 71.22 112.447 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.562 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -58.8 -55.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 109.555 -0.535 . . . . 64.12 109.555 175.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 HG13 ' A' ' 75' ' ' ILE . 81.4 mt -60.69 -37.37 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 123.901 0.751 . . . . 55.23 110.943 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -57.0 -47.0 81.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.794 0.684 . . . . 64.45 110.234 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.9 mm100 -75.41 -17.72 60.11 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.786 0.679 . . . . 64.21 112.264 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.591 HG11 ' HB ' ' A' ' 73' ' ' VAL . 93.2 t -77.37 -34.85 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.308 0.643 . . . . 75.35 109.965 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 84.8 mt -70.29 -35.58 73.8 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.447 -0.946 . . . . 74.5 108.447 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 11.0 t70 -61.93 -39.76 93.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.769 1.227 . . . . 74.51 110.877 170.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.5 m -76.92 -28.14 55.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.99 0.367 . . . . 50.15 111.99 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.55 42.11 93.75 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 111.108 -0.797 . . . . 75.25 111.108 -167.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.588 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -105.78 173.57 6.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.632 1.173 . . . . 50.13 110.765 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 140.6 29.52 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.876 -0.787 . . . . 74.05 108.876 174.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.68 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -138.05 133.76 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.511 0.672 . . . . 70.23 111.165 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' A' ' 50' ' ' ILE . 26.7 tp -117.46 124.14 48.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.943 1.297 . . . . 74.13 108.021 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.571 HG13 HD11 ' A' ' 63' ' ' ILE . 48.3 mm -108.02 117.29 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.226 -0.657 . . . . 73.2 109.226 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 82.8 mt -108.02 134.29 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.233 -1.025 . . . . 74.12 108.233 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.8 t -155.6 142.1 18.67 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.762 -0.829 . . . . 71.33 108.762 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.5 m -59.19 -36.87 76.12 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.082 0.864 . . . . 65.53 111.216 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 20.5 t70 -90.68 122.54 33.54 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.476 0.71 . . . . 72.13 110.744 -174.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.43 -24.67 61.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.307 1.043 . . . . 53.55 112.255 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -71.94 -35.5 69.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.782 -0.822 . . . . 75.35 108.782 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' HG12 ' A' ' 86' ' ' ILE . 89.5 mt -67.83 -51.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 O-C-N 124.357 1.036 . . . . 72.53 109.523 173.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 mm -51.12 -48.11 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 72.41 112.212 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.35 -27.69 52.78 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.498 -0.773 . . . . 74.33 111.639 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 t -65.74 -40.38 92.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.187 0.517 . . . . 70.35 109.631 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.5 mm -70.5 -32.75 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.988 -1.005 . . . . 65.14 110.647 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -69.96 -44.25 69.88 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.151 0.426 . . . . 71.43 112.151 174.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.36 -32.14 68.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 117.812 0.278 . . . . 63.42 111.214 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.84 -43.45 54.5 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.075 0.55 . . . . 73.24 110.899 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 93' ' ' VAL . 52.3 m-85 -123.3 96.76 43.74 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.469 0.708 . . . . 72.1 109.15 -174.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -60.84 -34.08 91.87 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.501 2.134 . . . . 71.32 113.539 177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.86 -12.86 60.04 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.318 1.229 . . . . 50.34 114.318 -171.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.68 HG23 HG13 ' A' ' 73' ' ' VAL . 10.8 p -83.46 139.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.572 0.624 . . . . 72.14 110.75 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 4.2 mm-40 -88.83 124.36 34.1 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.867 -1.16 . . . . 75.13 107.867 164.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' HB ' ' A' ' 75' ' ' ILE . 33.5 p -123.01 162.33 22.56 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.096 -0.705 . . . . 75.1 109.096 177.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -159.74 128.77 5.15 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.675 0.274 . . . . 75.12 110.432 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -61.91 116.86 5.22 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.283 0.989 . . . . 72.34 108.639 170.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.32 102.5 4.82 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.529 -1.285 . . . . 51.33 107.529 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.26 -3.42 50.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.193 -0.912 . . . . 53.33 110.814 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.82 153.87 49.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.548 -0.538 . . . . 65.33 109.548 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -68.3 -26.06 65.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.706 1.202 . . . . 73.24 112.289 -176.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 41.5 mt-10 -67.29 -49.78 62.88 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.063 0.852 . . . . 73.41 109.497 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.2 -33.83 71.44 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.592 -1.185 . . . . 73.22 112.151 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 13' ' ' ILE . 80.6 t -69.68 -57.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 122.909 0.484 . . . . 71.12 111.229 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.1 pttt -61.93 -34.65 76.46 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.481 0.488 . . . . 73.21 110.991 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -63.57 -46.39 86.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.4 0.68 . . . . 61.52 110.817 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.2 76.99 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.136 0.574 . . . . 73.33 111.004 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 54.9 t -62.22 -52.84 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.155 0.982 . . . . 61.42 109.511 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 86.2 tt0 -56.7 -53.87 52.77 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.969 0.908 . . . . 73.13 111.79 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -35.65 75.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.834 0.854 . . . . 63.12 112.223 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.07 -36.63 75.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.106 0.563 . . . . 72.43 110.394 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 63.3 mt -77.67 -31.59 52.66 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.612 0.765 . . . . 75.43 112.325 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.4 mttm -68.42 -38.64 81.41 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.006 0.431 . . . . 63.01 110.495 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 115.616 -0.72 . . . . 74.51 111.528 177.436 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 tptt . . . . . 0 C--O 1.24 0.558 0 CA-C-O 120.87 0.367 . . . . 75.32 111.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.35 123.52 39.7 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 N-CA-C 107.327 -1.36 . . . . 42.21 107.327 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 29' ' ' GLN . 71.5 t -126.28 124.69 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.362 0.665 . . . . 44.13 109.653 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -99.03 111.32 23.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.172 -0.677 . . . . 72.04 109.172 170.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.507 HD13 HG13 ' A' ' 37' ' ' ILE . 61.9 tp -97.28 139.04 33.84 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.499 -0.926 . . . . 63.42 108.499 171.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -162.71 161.65 26.46 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.513 0.725 . . . . 75.23 109.848 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -99.54 -31.89 11.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.514 0.726 . . . . 53.43 109.577 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.42 113.74 17.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.3 -1.318 . . . . 75.11 109.326 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -60.86 -52.26 65.8 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.858 0.863 . . . . 73.13 113.01 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.14 -21.28 64.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.768 0.427 . . . . 61.21 111.552 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.606 HG21 ' HG2' ' A' ' 52' ' ' LYS . 24.3 mm -68.02 -51.47 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.555 0.742 . . . . 43.24 109.049 171.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.74 -38.72 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.981 0.913 . . . . 74.12 111.359 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.55 -40.25 92.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.672 0.789 . . . . 73.41 111.412 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 8.6 mm-40 -74.49 -32.5 62.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.659 0.784 . . . . 71.02 112.124 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.48 -35.43 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.002 0.521 . . . . 63.24 110.604 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 t -66.86 -35.59 80.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.598 0.759 . . . . 61.11 109.855 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.6 tppt? -67.96 -47.64 68.08 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.494 -0.775 . . . . 71.24 110.001 174.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.7 -43.16 89.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.613 0.765 . . . . 72.53 111.221 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -60.08 -46.14 90.56 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.108 -0.951 . . . . 64.12 110.587 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.93 -45.49 92.24 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.737 0.815 . . . . 74.01 111.415 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 mm-40 -60.68 -43.04 98.19 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 64.15 112.187 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 56.4 mm-40 -82.86 -20.27 35.87 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.13 0.419 . . . . 64.43 112.13 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.31 37.6 20.63 Favored Glycine 0 CA--C 1.534 1.243 0 O-C-N 123.185 0.303 . . . . 73.44 113.249 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.88 138.34 31.5 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.05 0.94 . . . . 73.0 110.692 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -86.01 86.78 7.35 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.076 -0.712 . . . . 75.32 109.076 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 21' ' ' ALA . 40.1 mt -109.85 125.09 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.154 -0.684 . . . . 54.54 109.154 176.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB3' HG22 ' A' ' 5' ' ' VAL . 26.5 tp60 -87.44 109.42 19.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.437 -0.949 . . . . 70.14 108.437 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -95.75 125.42 40.31 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.365 -0.606 . . . . 52.22 109.365 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -142.05 154.4 44.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.932 0.893 . . . . 75.14 110.287 -171.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -110.54 -38.23 5.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.114 0.966 . . . . 74.11 110.321 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.23 102.92 8.82 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.937 0.399 . . . . 73.32 110.246 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -69.09 -25.97 64.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.682 0.793 . . . . 74.0 111.762 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.19 -39.72 93.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.59 0.756 . . . . 61.42 110.884 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 36.5 tt0 -59.86 -48.66 80.78 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.171 -0.922 . . . . 73.02 109.8 172.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD13 ' A' ' 7' ' ' LEU . 46.0 mm -64.56 -38.32 82.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.44 -1.255 . . . . 75.54 112.145 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HG3' ' A' ' 65' ' ' GLN . 93.5 mt -59.01 -42.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.175 0.99 . . . . 75.45 110.002 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 27.7 t70 -70.07 -32.85 71.15 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.886 -1.052 . . . . 62.24 110.889 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.3 mtp180 -73.68 -31.5 63.47 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.636 0.374 . . . . 50.01 110.673 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -67.72 -32.6 73.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.064 0.546 . . . . 72.14 109.939 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.76 -36.61 84.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.89 0.476 . . . . 75.05 111.022 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 83.5 mtt180 -71.6 -12.56 61.42 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.415 0.686 . . . . 71.31 111.056 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 65.07 19.56 11.84 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.78 1.232 . . . . 71.52 109.224 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -68.18 -30.62 69.76 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.051 1.74 . . . . 71.03 111.548 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' HB ' ' A' ' 49' ' ' ILE . 41.5 mt -101.43 120.53 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.433 0.693 . . . . 42.4 109.712 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -81.01 -42.21 21.5 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.949 0.499 . . . . 73.33 110.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ptm -148.84 139.01 22.3 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.456 -0.793 . . . . 72.41 109.418 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' HB ' HG21 ' A' ' 46' ' ' ILE . 10.4 tt -137.94 146.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.241 0.616 . . . . 64.44 110.805 -169.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.0 mt -130.12 113.5 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.533 1.133 . . . . 65.03 108.401 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 62' ' ' ILE . 47.0 t -108.82 111.37 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.696 0.798 . . . . 72.54 109.895 -176.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.606 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.9 tptp -101.34 109.62 21.49 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.827 -0.805 . . . . 72.43 108.827 173.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 77' ' ' SER . 8.5 t -155.1 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.453 -0.943 . . . . 74.35 108.453 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -139.98 22.21 2.45 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.07 0.548 . . . . 65.31 110.078 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.45 114.42 22.85 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.138 -0.69 . . . . 70.1 109.138 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 82' ' ' ILE . 35.4 mtmm -58.72 -36.67 74.67 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.959 1.304 . . . . 73.41 113.497 -174.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.1 -30.63 60.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.734 0.414 . . . . 72.31 111.095 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -68.5 -44.8 73.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.997 0.519 . . . . 73.02 109.784 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 75' ' ' ILE . 91.9 mt -56.42 -49.94 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 114.586 -1.188 . . . . 72.12 110.215 176.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -57.82 -43.04 85.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.527 -1.215 . . . . 63.44 111.741 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -60.87 -47.78 84.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.932 0.493 . . . . 73.21 111.798 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -61.23 -48.16 90.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 123.494 0.497 . . . . 61.33 109.996 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 56.0 mt -55.25 -47.78 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.743 0.652 . . . . 71.31 110.791 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.73 -46.99 74.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.133 0.973 . . . . 71.22 111.558 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' HG3' HG23 ' A' ' 38' ' ' ILE . 14.7 mm100 -64.18 -41.03 97.29 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 123.969 0.793 . . . . 75.03 111.412 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 71' ' ' ALA . 69.2 t -69.42 -34.74 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.662 0.785 . . . . 73.04 111.452 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 81.1 mt -64.25 -41.57 96.89 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.228 -0.656 . . . . 73.4 109.228 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.89 -40.87 91.97 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.422 -1.263 . . . . 75.23 111.304 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -87.76 -12.74 44.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.816 0.446 . . . . 72.21 112.044 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.5 77.93 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 123.584 0.553 . . . . 73.22 113.596 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -82.57 166.15 19.48 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.278 0.631 . . . . 43.14 110.396 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -86.34 138.03 32.13 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.039 -1.097 . . . . 72.24 108.039 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -140.38 135.14 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 121.218 0.532 . . . . 72.4 111.205 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' A' ' 50' ' ' ILE . 18.1 tp -116.98 117.9 30.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.875 1.27 . . . . 73.41 108.427 172.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 59' ' ' ILE . 40.0 mm -96.56 111.75 27.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.109 0.964 . . . . 75.44 109.356 174.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.05 127.62 52.96 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 75.13 108.669 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' THR . 22.6 m -136.31 143.55 44.23 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.309 -0.626 . . . . 54.43 109.309 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 m -79.36 11.68 2.82 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.55 0.74 . . . . 75.21 112.105 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.11 133.81 25.19 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.302 0.572 . . . . 71.44 110.968 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.01 -35.61 78.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.776 1.23 . . . . 75.24 112.188 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -70.28 -37.58 74.87 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 56' ' ' LYS . 62.4 mt -63.91 -48.9 84.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 115.482 -0.781 . . . . 53.22 109.65 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 31.6 mm -56.42 -42.46 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 123.335 0.397 . . . . 75.33 110.783 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -59.41 -46.01 89.9 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.543 0.737 . . . . 74.34 111.801 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 p -68.55 -36.59 79.01 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.289 -0.414 . . . . 22.52 111.28 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 82' ' ' ILE . 48.5 mm -71.34 -29.85 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 122.452 0.301 . . . . 74.54 110.485 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 30.3 mtm180 -68.85 -45.09 71.98 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.809 0.444 . . . . 70.11 111.666 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.62 -36.88 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.524 0.194 . . . . 61.21 111.524 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.13 -44.99 59.43 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.172 0.51 . . . . 75.43 110.884 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.422 ' O ' HG12 ' A' ' 93' ' ' VAL . 35.9 m-85 -127.83 92.09 43.37 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.748 -0.834 . . . . 63.13 108.748 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.13 -20.07 15.02 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 121.951 1.767 . . . . 74.13 112.977 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.83 -15.48 41.79 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.259 0.836 . . . . 75.11 113.259 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -78.38 141.17 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 CA-C-N 118.422 0.556 . . . . 53.44 109.971 175.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.36 113.98 12.21 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.266 -0.642 . . . . 74.14 109.266 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.3 p -119.68 136.88 54.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.242 0.617 . . . . 62.21 109.717 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.699 HH11 ' HB2' ' A' ' 107' ' ' ALA . 43.9 ttt180 -144.97 129.54 18.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.721 -0.844 . . . . 63.31 108.721 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 120.14 17.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.999 -0.741 . . . . 63.41 108.999 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.59 118.15 8.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.501 -1.296 . . . . 60.32 107.501 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.65 -59.19 1.78 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.403 0.62 . . . . 75.12 109.464 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.55 157.01 24.94 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.763 -1.108 . . . . 64.01 110.246 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.1 pttp -55.89 -34.95 66.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.327 1.451 . . . . 53.22 112.916 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -70.87 -39.61 72.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 123.677 0.61 . . . . 73.42 110.616 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.95 -34.15 76.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.531 0.732 . . . . 63.35 111.287 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 13' ' ' ILE . 69.5 t -74.77 -51.5 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.949 -0.569 . . . . 72.22 110.976 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 64.9 pttt -64.57 -34.14 77.56 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.205 0.315 . . . . 74.43 111.313 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.28 -43.54 88.02 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.805 1.242 . . . . 73.1 111.549 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.699 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -66.97 -38.44 86.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.645 0.778 . . . . 74.1 111.501 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 79.2 t -62.35 -55.03 26.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 123.932 0.893 . . . . 72.35 110.582 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.96 -41.79 71.55 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.494 1.118 . . . . 62.21 111.346 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.76 -47.78 74.05 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.974 0.91 . . . . 72.24 111.461 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -58.41 -37.82 76.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.636 1.174 . . . . 73.13 111.09 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.2 mt -77.63 -44.05 29.49 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.935 -1.03 . . . . 73.34 112.451 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.5 -32.71 70.3 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 111.965 0.358 . . . . 52.13 111.965 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.482 1.138 0 C-N-CA 123.027 0.531 . . . . 55.12 110.937 173.619 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 C--O 1.24 0.567 0 N-CA-C 107.63 -1.248 . . . . 73.42 107.63 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 t -88.36 119.54 35.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.888 -1.153 . . . . 75.0 107.888 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 29' ' ' GLN . 89.2 t -122.24 111.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 108.797 -0.816 . . . . 74.42 108.797 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 30' ' ' THR . 79.7 t80 -89.41 109.77 20.65 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 173.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 51' ' ' VAL . 61.0 tp -94.4 140.87 29.25 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.83 -1.174 . . . . 73.34 107.83 170.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.5 t -151.46 164.57 36.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.37 -0.604 . . . . 73.05 109.37 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 2.96 12.99 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.807 0.843 . . . . 70.42 109.269 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -126.7 121.72 32.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.734 1.214 . . . . 63.45 109.114 -167.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -65.06 -55.77 16.9 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.1 1.148 . . . . 74.35 114.1 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.76 -38.72 56.64 Favored 'General case' 0 N--CA 1.499 2.017 0 C-N-CA 123.698 0.799 . . . . 43.41 111.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.675 HD12 HG21 ' A' ' 104' ' ' VAL . 40.6 mm -55.28 -55.51 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.975 -1.466 . . . . 73.25 111.214 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.28 -37.17 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.614 1.166 . . . . 65.1 111.179 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -65.42 -37.69 87.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.161 0.984 . . . . 74.51 110.772 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 12.7 mm-40 -80.0 -37.57 33.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.091 -0.959 . . . . 43.55 112.19 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.37 -35.4 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.832 0.453 . . . . 73.22 110.239 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -70.08 -32.42 70.49 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.571 0.748 . . . . 74.21 110.5 175.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -60.97 -54.72 41.49 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.526 0.73 . . . . 73.22 109.915 172.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -56.12 -44.95 79.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.525 1.13 . . . . 73.4 111.301 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -66.06 -37.92 87.05 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.132 -0.94 . . . . 75.14 111.731 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.7 -49.48 46.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.738 0.415 . . . . 73.11 110.809 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.56 -50.13 72.79 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.76 0.824 . . . . 61.41 111.662 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -83.35 -14.72 52.25 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.576 -0.738 . . . . 54.5 111.839 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.93 18.57 72.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.254 0.346 . . . . 41.51 113.526 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -67.27 121.5 15.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.715 0.806 . . . . 75.32 110.25 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.47 105.9 10.05 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.983 -0.747 . . . . 72.25 108.983 172.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 21' ' ' ALA . 53.5 mt -133.69 126.32 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.121 0.969 . . . . 74.5 109.113 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HB3' HG22 ' A' ' 5' ' ' VAL . 21.5 tp60 -83.1 108.83 16.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.087 -0.709 . . . . 74.21 109.087 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 21.4 p -98.16 126.63 43.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.394 -0.595 . . . . 63.35 109.394 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 m -150.27 165.25 33.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.921 0.888 . . . . 71.14 110.354 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m120 -116.79 -22.12 8.71 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.9 0.88 . . . . 62.33 110.552 173.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.2 m-20 -68.63 86.07 0.31 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.367 0.667 . . . . 74.11 109.736 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -32.88 73.21 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.92 0.488 . . . . 72.22 109.723 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -62.24 -42.32 99.21 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.435 1.094 . . . . 64.43 111.495 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.8 tt0 -65.08 -45.6 84.59 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.872 0.732 . . . . 64.5 110.063 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 33' ' ' ASP . 37.2 mm -68.96 -37.13 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.62 -0.263 . . . . 64.31 111.363 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HE3' ' A' ' 42' ' ' LYS . 96.4 mt -60.14 -40.12 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.11 0.964 . . . . 74.35 109.492 171.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 13.9 t70 -63.91 -37.61 88.02 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.67 1.188 . . . . 75.2 111.233 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 25.6 mtp180 -77.07 -28.96 54.85 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.726 0.81 . . . . 71.03 110.853 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.6 mt -68.95 -33.14 73.22 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.901 0.88 . . . . 35.3 110.258 171.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HE3' HG22 ' A' ' 38' ' ' ILE . 99.0 mttt -66.2 -32.49 73.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.412 0.685 . . . . 73.32 110.614 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 77.4 mtt180 -74.54 -9.67 58.8 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.498 0.719 . . . . 72.51 111.125 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 65.96 17.72 10.88 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.028 1.331 . . . . 74.02 110.8 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.26 -26.66 47.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.53 1.132 . . . . 74.04 111.579 -168.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HB ' HD23 ' A' ' 41' ' ' LEU . 53.8 mt -91.56 124.9 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.134 -0.939 . . . . 74.25 109.463 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.14 -38.82 16.08 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.161 0.984 . . . . 61.4 110.22 -176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.414 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 12.5 ptp -151.03 146.2 26.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.971 -1.013 . . . . 73.01 109.436 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.0 tt -140.15 140.93 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.622 0.769 . . . . 71.14 109.23 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG21 HG22 ' A' ' 108' ' ' VAL . 46.8 mt -129.27 111.88 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.361 -0.977 . . . . 74.03 108.361 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 7' ' ' LEU . 46.1 t -111.45 117.19 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.441 0.697 . . . . 53.15 111.051 -174.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.3 tptp -101.84 109.56 21.34 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.9 0.88 . . . . 52.44 108.941 169.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -166.56 157.04 12.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.546 0.738 . . . . 73.44 109.343 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -93.59 -6.96 45.38 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.793 0.837 . . . . 72.43 109.928 173.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.04 94.09 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.881 -1.155 . . . . 71.23 107.881 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -57.05 -33.13 66.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.921 1.289 . . . . 74.02 112.965 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -75.08 -32.02 61.37 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.191 0.596 . . . . 72.22 110.687 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 t -63.01 -54.12 43.33 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.53 -0.915 . . . . 71.54 108.53 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.21 -48.79 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.926 1.391 . . . . 74.01 110.612 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.6 t -54.15 -55.84 23.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 73.45 111.454 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 42.7 mm-40 -62.52 -43.32 99.09 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.755 0.66 . . . . 65.1 111.802 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.504 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -53.6 -56.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 O-C-N 123.958 0.787 . . . . 65.4 110.029 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.5 mt -60.7 -40.83 86.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 124.045 0.84 . . . . 73.43 110.395 -174.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -54.04 -47.88 71.12 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.808 0.843 . . . . 72.12 110.952 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm100 -62.39 -42.17 99.22 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.646 0.591 . . . . 73.53 110.559 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.54 HG13 ' HB3' ' A' ' 71' ' ' ALA . 81.3 t -62.97 -38.28 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.751 1.22 . . . . 74.41 111.571 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 77.6 mt -67.1 -29.52 69.29 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.632 0.773 . . . . 61.11 110.945 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.61 -41.5 23.85 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.466 -0.788 . . . . 75.21 110.584 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.2 m -78.88 -12.66 60.04 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.031 0.752 . . . . 54.42 113.031 -169.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.77 52.51 28.87 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.644 -0.583 . . . . 50.12 111.644 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -124.75 171.45 10.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.347 1.059 . . . . 34.43 110.182 -175.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.5 mppt? -96.16 149.22 21.88 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.555 -0.906 . . . . 75.22 108.555 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.582 HG13 HG23 ' A' ' 93' ' ' VAL . 5.8 p -142.3 131.95 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.13 0.572 . . . . 44.41 110.357 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 45.9 tp -120.11 117.68 28.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.712 1.205 . . . . 73.35 108.48 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 63' ' ' ILE . 46.5 mm -106.22 123.22 60.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 123.204 0.602 . . . . 72.3 109.673 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 mt -117.63 132.96 56.42 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.999 1.319 . . . . 72.41 107.86 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.0 t -156.87 151.53 25.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.704 . . . . 72.11 109.12 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.3 p -95.64 9.7 39.35 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.249 1.02 . . . . 72.14 111.515 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 82' ' ' ILE . 16.6 t70 -118.81 128.53 54.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.842 0.457 . . . . 75.44 110.607 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.82 -51.24 66.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.88 1.272 . . . . 72.43 112.234 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.57 -37.36 85.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.639 0.775 . . . . 72.31 110.179 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 86' ' ' ILE . 71.1 mt -68.23 -55.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 115.192 -0.913 . . . . 71.25 110.315 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 29.1 mm -51.3 -48.97 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 123.961 0.788 . . . . 64.13 110.475 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -57.8 -48.72 78.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.239 0.962 . . . . 74.11 111.585 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.472 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.4 m -56.02 -45.52 79.09 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.923 0.764 . . . . 75.42 110.937 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.532 HG22 HG11 ' A' ' 93' ' ' VAL . 23.4 mm -66.64 -34.28 69.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-N 115.496 -0.775 . . . . 74.53 111.191 -175.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 60.0 mtm180 -67.03 -55.83 12.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 120.868 0.366 . . . . 70.34 110.771 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 60.5 pttt -72.41 -24.34 61.22 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.11 -0.496 . . . . 73.35 112.182 -170.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -80.49 -42.08 23.16 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.077 0.551 . . . . 71.5 111.128 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' VAL . 68.2 m-85 -120.6 108.23 37.65 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 123.063 0.545 . . . . 73.43 110.548 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.42 -29.01 11.61 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.573 2.182 . . . . 64.45 113.318 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -78.47 -15.24 58.84 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.179 0.807 . . . . 74.15 113.179 -175.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.582 HG23 HG13 ' A' ' 73' ' ' VAL . 11.2 p -81.39 137.02 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.648 0.261 . . . . 63.24 110.726 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 66.0 mm-40 -85.92 129.44 34.83 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 107.604 -1.258 . . . . 63.11 107.604 162.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.0 p -122.83 154.08 38.73 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.949 -0.76 . . . . 62.31 108.949 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 69.6 ttt180 -151.37 122.88 7.9 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.319 -1.363 . . . . 75.44 107.319 170.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -66.15 125.15 24.62 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.584 -0.895 . . . . 72.44 108.584 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.15 104.12 4.58 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.497 -0.927 . . . . 53.31 108.497 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -88.83 -20.82 24.17 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.815 -1.084 . . . . 55.32 109.859 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -106.31 136.56 45.82 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.578 0.751 . . . . 72.12 109.628 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 13' ' ' ILE . 43.9 pttt -61.59 -20.54 63.43 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.973 1.309 . . . . 71.33 111.906 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 22.5 mt-10 -65.4 -47.08 77.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.457 1.103 . . . . 63.23 109.411 172.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -70.3 -30.39 67.37 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.093 -1.412 . . . . 51.32 112.34 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.675 HG21 HD12 ' A' ' 13' ' ' ILE . 86.3 t -66.72 -54.42 25.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 122.893 0.477 . . . . 64.14 110.313 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.2 pttt -65.3 -32.48 74.16 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.113 0.258 . . . . 75.53 111.507 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.9 -42.69 99.87 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.763 0.825 . . . . 64.41 110.662 173.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.519 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -63.61 -38.9 92.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.539 0.736 . . . . 61.25 111.251 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 50' ' ' ILE . 85.5 t -61.52 -51.31 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.3 1.04 . . . . 72.33 110.587 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 43.2 tt0 -61.06 -47.07 88.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.563 0.745 . . . . 75.5 111.256 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -67.71 -27.38 66.76 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.72 0.808 . . . . 71.02 111.552 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 72' ' ' LYS . 47.5 t80 -69.86 -38.51 76.45 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.221 1.008 . . . . 75.14 109.37 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 99.1 mt -79.35 -29.71 42.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.878 -1.056 . . . . 60.13 113.042 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 98.9 mttt -66.62 -36.57 82.9 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.984 0.513 . . . . 74.44 110.794 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 CA--C 1.543 0.702 0 CA-C-N 115.209 -0.905 . . . . 75.42 110.17 175.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 120.629 0.252 . . . . 70.31 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -100.2 125.71 53.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 115.327 -0.852 . . . . 51.3 109.461 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.4 t -127.24 117.75 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.587 -0.894 . . . . 21.14 108.587 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' THR . 63.9 t80 -89.75 147.01 24.09 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.344 0.592 . . . . 74.52 110.367 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.4 tp -136.59 133.09 35.97 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.954 1.301 . . . . 60.43 108.053 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.6 t -144.87 151.38 38.64 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.705 -0.85 . . . . 72.31 108.705 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.62 -11.73 53.19 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 123.741 0.651 . . . . 64.53 109.639 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.45 139.17 51.25 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.863 0.865 . . . . 64.55 111.091 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -65.99 -43.85 86.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.022 1.329 . . . . 70.23 112.99 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.75 -34.51 78.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.618 0.367 . . . . 73.42 110.638 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' A' ' 52' ' ' LYS . 42.7 mm -65.51 -45.04 93.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.399 -0.819 . . . . 71.42 110.034 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 30' ' ' THR . 76.9 mt -52.98 -45.31 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.578 1.151 . . . . 75.41 110.609 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.14 -29.48 62.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.662 0.785 . . . . 74.22 112.381 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 48.9 mm-40 -70.55 -42.03 71.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.036 0.534 . . . . 73.33 111.428 176.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 HG11 ' A' ' 108' ' ' VAL . 89.2 t -74.97 -33.66 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.61 0.764 . . . . 71.32 110.79 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 t -64.18 -37.67 88.29 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.433 0.693 . . . . 73.03 109.884 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.0 tppp? -64.83 -49.06 72.11 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.826 -0.624 . . . . 74.31 109.873 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 1.3 tpmt? -55.57 -37.93 68.7 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.673 0.789 . . . . 71.03 111.116 178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.56 85.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.976 -1.011 . . . . 74.0 111.083 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.54 -46.23 80.34 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.446 0.466 . . . . 65.41 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 8.0 mm-40 -56.28 -47.32 78.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.748 0.819 . . . . 74.52 112.342 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 48.3 mm-40 -93.5 -14.19 26.94 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.685 0.624 . . . . 71.13 112.685 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.43 32.31 31.35 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 122.058 -0.115 . . . . 71.2 113.173 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 112' ' ' LEU . 23.4 m-85 -88.76 133.78 34.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.233 1.013 . . . . 71.12 110.126 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -84.5 91.31 7.82 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.069 0.938 . . . . 71.22 108.866 169.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.75 103.78 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 109.078 -0.712 . . . . 71.2 109.078 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.5 tp-100 -76.31 112.8 13.19 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 14' ' ' ILE . 53.8 p -97.87 150.17 21.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.978 0.511 . . . . 64.34 110.299 -175.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -154.51 162.43 41.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.441 0.696 . . . . 71.32 110.433 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -105.58 -30.06 9.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.13 0.972 . . . . 64.01 110.19 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.08 104.18 15.44 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.331 0.586 . . . . 65.34 110.139 -173.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -63.73 -27.55 69.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.687 1.195 . . . . 71.25 112.47 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.36 -41.22 80.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.28 0.632 . . . . 72.21 111.123 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -42.91 99.36 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.374 1.07 . . . . 72.2 109.919 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.99 -37.43 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 114.726 -1.124 . . . . 64.11 111.117 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 65' ' ' GLN . 66.6 mt -56.3 -44.57 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.328 0.651 . . . . 75.11 109.909 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 38.3 t70 -66.86 -33.27 75.23 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.708 -0.678 . . . . 64.04 111.466 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -71.28 -34.32 70.56 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 75.25 111.181 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.01 -32.56 73.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.331 0.652 . . . . 70.42 110.45 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -65.96 -30.64 71.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.86 0.864 . . . . 70.0 110.939 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.0 mtt180 -80.92 -13.9 58.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.281 0.632 . . . . 71.21 110.77 173.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.558 ' HG3' ' HB2' ' A' ' 69' ' ' SER . 55.0 ttt-85 62.33 21.89 12.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.519 1.527 . . . . 73.33 111.032 -173.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.73 -24.5 63.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 71.13 111.422 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.442 HG21 ' HB ' ' A' ' 49' ' ' ILE . 32.0 mt -97.25 125.36 50.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.411 -0.959 . . . . 75.31 108.411 -175.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -78.29 -46.53 19.98 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.792 0.806 . . . . 74.23 109.987 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 11.1 ptm -145.84 129.87 17.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.253 -1.339 . . . . 72.24 109.255 -174.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.5 tt -131.66 147.27 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.054 0.942 . . . . 70.04 109.655 -169.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 108' ' ' VAL . 51.4 mt -131.11 126.13 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.99 -1.115 . . . . 62.34 107.99 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 62' ' ' ILE . 66.2 t -122.14 111.59 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.237 0.615 . . . . 74.22 109.716 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HG2' HG21 ' A' ' 13' ' ' ILE . 44.6 tptt -101.37 110.36 22.35 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.009 -0.738 . . . . 74.32 109.009 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -171.41 160.8 6.18 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.601 0.761 . . . . 71.44 109.615 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.26 -4.61 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.843 0.857 . . . . 71.12 109.782 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.65 93.35 0.7 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.924 -0.769 . . . . 54.43 108.924 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 82' ' ' ILE . 95.2 mttt -54.54 -32.16 57.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.618 1.167 . . . . 74.43 112.654 -174.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.69 -41.25 79.45 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.542 0.737 . . . . 74.35 110.758 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -63.55 -52.43 61.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.12 0.568 . . . . 51.42 109.507 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.439 HG23 HD12 ' A' ' 75' ' ' ILE . 91.5 mt -51.68 -57.18 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 114.464 -1.244 . . . . 74.02 110.642 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.5 t -59.64 -48.91 79.79 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 124.091 0.87 . . . . 43.31 111.557 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 44.1 mt-10 -60.99 -47.95 84.08 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.314 0.646 . . . . 53.34 111.578 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.5 -47.01 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.521 0.513 . . . . 73.01 110.076 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 HG13 ' A' ' 75' ' ' ILE . 99.3 mt -57.86 -44.9 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 123.607 0.567 . . . . 72.45 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 60' ' ' SER . 94.0 mttt -55.03 -42.6 72.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.244 0.618 . . . . 74.12 110.479 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.543 ' HG3' HG23 ' A' ' 38' ' ' ILE . 16.2 mm100 -72.23 -32.55 66.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.841 -1.072 . . . . 65.53 111.918 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 59.1 t -79.17 -26.77 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 122.672 0.389 . . . . 63.45 110.477 179.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.7 mt -70.4 -41.83 72.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.012 -0.736 . . . . 71.1 109.012 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.8 -41.31 92.09 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.956 -1.02 . . . . 72.11 111.273 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.558 ' HB2' ' HG3' ' A' ' 44' ' ' ARG . 77.9 p -79.88 -22.91 42.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.281 0.232 . . . . 71.25 110.857 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.41 33.02 80.72 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.486 -0.324 . . . . 62.14 112.316 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -91.81 -174.83 3.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.729 0.812 . . . . 74.42 110.902 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 137.46 37.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.173 -0.677 . . . . 74.13 109.173 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.69 HG13 HG23 ' A' ' 93' ' ' VAL . 7.5 p -141.15 139.51 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.041 0.536 . . . . 73.34 111.547 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 107' ' ' ALA . 43.8 tp -118.92 116.91 27.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.344 1.058 . . . . 74.11 108.938 173.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 63' ' ' ILE . 41.1 mm -95.77 120.68 45.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.988 0.915 . . . . 64.42 109.576 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 104' ' ' VAL . 88.3 mt -115.37 120.56 40.01 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.324 1.05 . . . . 72.14 108.567 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m -142.2 140.63 32.41 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.128 -1.064 . . . . 52.13 108.128 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 m -69.98 -32.93 71.4 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.32 0.648 . . . . 54.35 110.622 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.54 121.97 29.0 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.119 -0.946 . . . . 61.42 111.143 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.45 -30.75 71.78 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.511 1.124 . . . . 74.14 113.148 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -71.56 -32.17 67.79 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.669 -0.493 . . . . 62.34 109.669 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.439 HG12 ' HE2' ' A' ' 56' ' ' LYS . 79.9 mt -67.53 -53.84 28.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 C-N-CA 123.373 0.669 . . . . 60.44 109.218 173.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 38.2 mm -52.82 -46.15 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.928 0.767 . . . . 75.2 110.486 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.14 -51.32 70.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.647 0.779 . . . . 65.15 111.348 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.3 m -54.95 -43.49 73.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.905 0.753 . . . . 75.23 111.633 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.514 HG22 HG11 ' A' ' 93' ' ' VAL . 45.1 mm -71.8 -32.07 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.266 -0.879 . . . . 73.0 110.779 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 50.9 mtm180 -72.74 -46.8 51.61 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.361 0.264 . . . . 73.44 111.175 176.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.78 -31.25 61.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.571 0.349 . . . . 72.41 111.768 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -85.53 -44.78 12.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.827 0.451 . . . . 64.22 110.669 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.8 m-85 -114.75 96.3 43.76 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.538 -0.912 . . . . 62.33 108.538 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.73 -37.91 19.62 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.111 1.874 . . . . 53.3 112.741 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -76.09 -2.33 30.33 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.214 1.19 . . . . 74.41 114.214 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 73' ' ' VAL . 13.8 p -89.2 147.79 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.054 0.388 . . . . 52.11 110.712 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 2.2 mp0 -85.51 121.11 27.74 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.126 -1.064 . . . . 74.25 108.126 166.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 75' ' ' ILE . 70.8 p -119.59 156.46 30.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.588 -0.523 . . . . 64.4 109.588 171.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 103' ' ' GLU . 53.0 ttt-85 -156.17 127.63 7.18 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.049 -1.463 . . . . 62.22 107.049 170.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -63.9 118.14 7.98 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.954 -1.128 . . . . 73.44 107.954 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.15 105.03 6.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.979 -1.489 . . . . 74.04 106.979 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.86 -60.34 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.996 0.81 . . . . 63.24 109.006 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.48 158.85 15.81 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.845 -0.616 . . . . 74.45 110.28 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.568 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.8 pttm -53.24 -31.11 41.76 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.158 1.783 . . . . 74.32 112.726 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.657 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.1 pt-20 -65.48 -44.99 85.39 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.413 0.445 . . . . 73.42 109.964 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HH12 ' A' ' 96' ' ' ARG . 33.5 mt-10 -64.19 -28.72 69.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.459 -0.791 . . . . 53.22 111.672 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . 60.3 t -68.26 -58.62 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.745 -0.661 . . . . 73.54 109.932 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 62.0 pttt -66.98 -33.88 76.54 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.777 0.673 . . . . 64.32 111.689 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 69.6 m-20 -56.89 -53.15 61.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.894 0.478 . . . . 64.25 110.395 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -61.45 -32.0 71.97 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.916 0.887 . . . . 74.45 111.597 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 46.6 t -61.67 -51.35 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.909 0.883 . . . . 62.12 110.161 174.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 27.9 tt0 -60.4 -43.04 97.08 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.825 0.703 . . . . 71.21 109.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 19.9 mm-40 -59.29 -47.7 84.4 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.695 0.798 . . . . 61.24 110.635 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 48' ' ' MET . 70.5 t80 -59.09 -43.07 91.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.645 1.178 . . . . 71.31 111.16 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 21.7 mt -76.95 -38.11 53.96 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.63 -0.714 . . . . 64.13 112.183 -175.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -68.12 -35.57 78.33 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.742 0.417 . . . . 74.33 110.837 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 115.775 -0.648 . . . . 73.4 111.367 176.02 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 46' ' ' ILE . 2.0 tpmt? . . . . . 0 C--O 1.242 0.684 0 N-CA-C 107.118 -1.438 . . . . 73.54 107.118 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -85.6 118.74 32.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.82 -1.178 . . . . 74.45 107.82 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 37' ' ' ILE . 87.9 t -121.64 119.74 59.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.28 -0.637 . . . . 50.21 109.28 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -94.7 130.92 41.02 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 171.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -126.45 127.09 44.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.572 -1.27 . . . . 71.41 107.572 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -152.62 152.58 31.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.048 0.452 . . . . 63.4 110.062 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.44 -24.83 24.04 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.089 -0.96 . . . . 70.52 109.708 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.11 135.1 34.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.44 1.096 . . . . 73.32 110.184 -171.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -67.34 -58.53 4.63 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.101 1.148 . . . . 74.3 114.101 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.01 -35.55 78.89 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 118.142 0.428 . . . . 74.03 111.312 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.665 HD12 HG21 ' A' ' 104' ' ' VAL . 38.9 mm -51.61 -53.44 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 O-C-N 124.599 1.187 . . . . 74.05 111.321 173.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.8 -39.03 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.145 0.578 . . . . 70.11 110.568 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.69 -39.21 93.28 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.563 0.745 . . . . 64.13 112.08 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 35.3 mm-40 -72.67 -42.6 64.11 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.668 0.787 . . . . 72.44 111.731 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG13 HG11 ' A' ' 108' ' ' VAL . 70.1 t -68.55 -37.59 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.779 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -60.71 -45.01 95.84 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.742 0.817 . . . . 71.21 110.532 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 4.2 tppp? -63.88 -54.46 34.53 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.069 0.856 . . . . 74.44 110.255 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -48.81 72.95 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.299 0.999 . . . . 75.23 111.223 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.97 75.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.144 -0.935 . . . . 72.33 111.267 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.34 -41.51 93.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.732 0.813 . . . . 65.41 111.428 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 32.8 mm-40 -63.93 -38.44 91.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.296 0.638 . . . . 73.42 111.34 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.31 -10.3 58.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.106 0.563 . . . . 72.24 112.303 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.26 69.58 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 114.613 0.605 . . . . 54.42 114.613 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -75.38 123.8 26.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.889 0.476 . . . . 75.03 110.051 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.04 98.13 11.59 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.686 -0.857 . . . . 75.22 108.686 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.513 HD11 HD11 ' A' ' 112' ' ' LEU . 28.6 mt -105.11 128.06 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.411 0.684 . . . . 74.12 109.354 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG22 ' A' ' 5' ' ' VAL . 30.0 tp60 -75.7 108.34 8.48 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.456 -0.942 . . . . 71.42 108.456 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.39 139.05 34.72 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.164 0.586 . . . . 72.34 109.647 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -154.03 161.59 41.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.532 0.733 . . . . 61.34 111.0 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -114.28 -35.98 4.82 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.681 1.193 . . . . 74.03 109.619 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.32 99.31 7.05 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 122.199 0.999 . . . . 71.35 109.488 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.64 -18.97 65.72 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.783 -1.098 . . . . 73.05 112.702 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -56.44 -38.52 71.73 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.464 0.706 . . . . 74.05 111.347 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.8 -46.83 70.82 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.245 0.618 . . . . 61.32 110.531 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 HG11 ' A' ' 5' ' ' VAL . 25.3 mm -71.73 -46.16 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.807 -1.088 . . . . 75.4 112.188 -169.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 65' ' ' GLN . 68.2 mt -55.28 -39.2 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.42 1.088 . . . . 70.22 110.377 173.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.25 -41.7 89.58 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.167 -0.924 . . . . 74.35 110.958 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -76.8 -23.68 52.84 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.733 0.413 . . . . 73.12 111.374 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' ' 46' ' ' ILE . 96.7 mt -61.87 -47.85 83.16 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.29 -0.633 . . . . 65.14 109.29 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.15 -28.26 69.93 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.952 0.901 . . . . 73.2 112.182 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -83.25 -9.05 59.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.189 0.596 . . . . 71.44 111.962 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 63.09 21.18 12.73 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.906 1.283 . . . . 74.44 111.28 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -21.83 43.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.169 0.988 . . . . 63.13 111.076 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 3' ' ' LYS . 59.0 mt -93.86 130.56 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.331 0.652 . . . . 63.2 109.451 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 14.6 t70 -90.55 -44.59 9.47 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.457 0.703 . . . . 71.12 109.817 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -148.35 136.29 20.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.507 -0.77 . . . . 71.23 109.497 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 4.7 tt -134.02 133.73 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.742 0.817 . . . . 75.25 109.177 -173.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 HG22 ' A' ' 108' ' ' VAL . 64.5 mt -119.57 116.12 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.612 -1.255 . . . . 74.0 107.612 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 62' ' ' ILE . 26.0 t -108.37 133.79 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.663 0.785 . . . . 74.1 109.716 -175.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.7 tptp -123.08 106.76 11.08 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.462 -0.94 . . . . 74.14 108.462 170.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 t -157.25 144.82 18.84 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.076 -1.083 . . . . 75.42 108.076 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.06 4.62 52.69 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.492 0.717 . . . . 62.4 109.852 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.46 101.19 13.64 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.272 -0.64 . . . . 73.44 109.272 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 82' ' ' ILE . 14.6 ptmm? -60.17 -25.98 65.96 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.306 1.043 . . . . 70.35 113.519 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.1 -39.95 60.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.713 0.405 . . . . 73.11 110.927 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.2 p -72.52 -37.6 68.31 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.955 -0.387 . . . . 74.3 109.955 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 75' ' ' ILE . 80.6 mt -54.42 -50.98 53.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 O-C-N 123.812 0.695 . . . . 75.35 109.714 172.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.3 t -53.74 -45.9 70.69 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.455 1.097 . . . . 72.21 111.109 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -58.51 -51.38 70.1 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.614 0.766 . . . . 70.22 111.98 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -55.4 -50.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 123.558 0.536 . . . . 74.1 110.304 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 HG13 ' A' ' 75' ' ' ILE . 67.6 mt -60.46 -40.02 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.5 0.5 . . . . 64.01 110.956 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.5 -39.83 89.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.187 0.595 . . . . 74.45 110.543 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 38' ' ' ILE . 8.6 mm100 -80.85 -17.04 52.03 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.805 -0.634 . . . . 73.43 111.763 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 94.7 t -83.91 -25.41 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.492 0.717 . . . . 71.25 110.047 170.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -74.68 -31.59 61.96 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.705 -0.85 . . . . 75.5 108.705 171.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.89 -42.8 66.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.434 -0.803 . . . . 74.32 111.43 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 77.6 p -77.24 -49.57 14.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.136 0.493 . . . . 53.21 111.749 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.48 29.12 12.67 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 114.84 -1.073 . . . . 51.21 111.467 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.75 169.67 15.91 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.369 0.668 . . . . 72.34 111.184 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 143.1 29.44 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 108.212 -1.033 . . . . 75.32 108.212 166.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.24 140.45 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 122.872 0.469 . . . . 74.13 111.656 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.38 117.56 25.48 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.368 1.067 . . . . 71.13 108.557 171.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 HD11 ' A' ' 63' ' ' ILE . 27.5 mm -94.2 124.3 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 123.446 0.698 . . . . 74.3 109.975 175.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -122.7 123.47 41.18 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.188 1.395 . . . . 73.31 107.49 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 t -138.77 150.21 45.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.959 -0.756 . . . . 33.14 108.959 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.9 m -83.34 11.02 7.33 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.369 0.668 . . . . 73.42 112.174 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -139.89 126.79 20.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.768 0.827 . . . . 62.33 109.336 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 97' ' ' ARG . 12.4 pt-20 -74.86 -24.2 58.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.976 0.91 . . . . 45.44 113.156 -175.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.14 -30.75 49.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 109.181 -0.674 . . . . 54.23 109.181 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 56' ' ' LYS . 58.2 mt -68.33 -48.88 71.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 CA-C-N 114.83 -1.077 . . . . 71.13 109.402 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 28.2 mm -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.482 0.489 . . . . 52.45 110.438 175.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.43 -44.81 89.29 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 124.004 0.922 . . . . 73.0 111.042 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.536 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 38.4 t -62.83 -43.13 99.62 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 114.926 -1.034 . . . . 72.15 111.23 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.1 mm -65.58 -31.37 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 71.0 110.774 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 81.1 mtm180 -73.99 -44.26 55.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.104 0.562 . . . . 71.34 111.918 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 65.4 pttt -68.29 -36.83 79.96 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.866 0.104 . . . . 74.11 111.075 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.61 -46.24 39.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.474 0.71 . . . . 74.4 110.625 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -128.77 93.6 36.96 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.011 0.925 . . . . 65.13 109.257 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.73 -19.35 14.44 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.371 2.047 . . . . 74.2 113.218 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -72.0 -23.81 61.47 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.508 0.929 . . . . 73.22 113.508 -176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 73' ' ' VAL . 4.5 p -83.07 137.24 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.542 0.337 . . . . 72.43 111.828 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.82 113.3 4.79 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 168.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.432 ' HB ' HG23 ' A' ' 83' ' ' ILE . 24.9 p -116.51 144.47 44.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.39 0.676 . . . . 73.14 109.722 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -158.33 131.0 7.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.957 -1.127 . . . . 73.45 107.957 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 80' ' ' GLU . 41.6 ttp180 -72.75 133.02 44.35 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.571 -0.9 . . . . 75.14 108.571 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 106.01 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.488 -1.301 . . . . 73.44 107.488 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -99.59 -47.97 4.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.195 0.998 . . . . 54.42 108.365 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.71 143.87 43.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.266 -1.334 . . . . 55.1 109.472 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 49.8 pttt -67.65 -26.18 66.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.718 0.807 . . . . 75.24 111.189 177.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.2 pt-20 -70.22 -40.32 74.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.614 0.766 . . . . 70.44 110.985 171.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.74 -35.73 77.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.7 0.8 . . . . 73.41 111.739 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 13' ' ' ILE . 65.0 t -70.94 -53.53 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 O-C-N 123.458 0.474 . . . . 63.35 110.646 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.568 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 65.0 pttt -65.62 -35.74 81.67 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 111.9 0.333 . . . . 64.21 111.9 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.15 -46.68 87.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.35 1.06 . . . . 72.3 111.605 170.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.27 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.537 0.735 . . . . 74.25 111.644 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 50' ' ' ILE . 62.1 t -64.94 -56.89 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.261 -0.881 . . . . 73.13 110.092 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -52.71 -43.87 65.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.093 0.957 . . . . 61.43 111.701 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.68 -42.73 81.65 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.308 -0.86 . . . . 72.21 110.99 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -63.16 -32.51 73.92 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.073 0.949 . . . . 61.25 110.986 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.513 HD11 HD11 ' A' ' 28' ' ' ILE . 81.7 mt -76.09 -46.59 28.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.513 1.125 . . . . 74.23 111.35 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.03 -25.29 63.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.172 0.589 . . . . 73.31 112.03 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 65.15 110.943 172.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 C--O 1.241 0.635 0 N-CA-C 110.532 -0.174 . . . . 73.53 110.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 48' ' ' MET . 5.2 t -96.66 131.88 42.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.23 -1.026 . . . . 63.43 108.23 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.577 HG11 HD12 ' A' ' 37' ' ' ILE . 65.3 t -131.67 121.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.006 -0.739 . . . . 54.24 109.006 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HD1' ' HB ' ' A' ' 50' ' ' ILE . 59.2 t80 -97.11 106.45 18.78 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.597 -0.52 . . . . 71.23 109.597 175.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.513 HD13 HG13 ' A' ' 37' ' ' ILE . 58.6 tp -94.34 139.95 30.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.834 -1.173 . . . . 44.52 107.834 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -151.29 170.22 20.04 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.608 0.718 . . . . 74.11 111.398 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.57 -33.46 11.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.73 1.612 . . . . 62.11 110.696 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -123.13 144.16 49.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.001 0.52 . . . . 73.24 111.628 -172.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.22 -45.65 72.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.914 1.286 . . . . 74.44 112.777 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.71 -24.22 67.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.084 0.554 . . . . 64.33 111.394 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.628 HG21 ' HG2' ' A' ' 52' ' ' LYS . 43.0 mm -70.32 -52.72 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-N 114.993 -1.003 . . . . 71.34 109.135 173.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.4 -42.0 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.044 1.338 . . . . 70.24 111.896 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.87 -43.87 97.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.165 0.986 . . . . 73.11 111.305 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 11.0 mm-40 -70.51 -39.81 73.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.724 0.81 . . . . 64.2 112.104 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 108' ' ' VAL . 58.9 t -65.71 -43.07 93.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 123.243 0.617 . . . . 70.11 111.233 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.5 t -64.81 -35.9 82.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.909 0.884 . . . . 64.44 110.65 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 3.9 tppp? -63.35 -48.79 76.49 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.067 0.547 . . . . 75.13 110.248 175.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -41.87 83.96 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.362 0.665 . . . . 74.45 111.063 176.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -65.21 -35.71 81.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.663 0.785 . . . . 74.51 111.605 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.16 -53.04 15.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.126 0.57 . . . . 73.13 110.301 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 31.9 mm-40 -57.7 -37.84 74.2 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.069 0.856 . . . . 63.51 112.505 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -90.5 -20.37 22.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 111.95 0.352 . . . . 75.51 111.95 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 30.9 27.83 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.091 0.396 . . . . 31.4 114.091 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -85.04 149.04 25.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.52 0.728 . . . . 62.41 110.377 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -96.58 87.22 4.32 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.771 0.829 . . . . 64.32 109.141 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.589 HD12 ' HB2' ' A' ' 21' ' ' ALA . 16.6 mt -112.96 108.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.846 -0.615 . . . . 75.13 109.87 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.2 tp-100 -78.28 118.09 20.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.688 -0.856 . . . . 60.11 108.688 174.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.28 135.56 39.73 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.439 0.696 . . . . 75.14 109.976 -175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -147.93 157.06 43.33 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.531 0.732 . . . . 75.11 110.778 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.61 -12.78 10.28 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.812 1.245 . . . . 74.45 109.651 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.54 104.1 16.09 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.547 0.739 . . . . 73.34 109.996 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -68.47 -26.39 65.47 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.781 0.832 . . . . 73.13 112.298 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.89 -41.25 95.68 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 123.549 0.531 . . . . 74.31 110.748 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.3 tt0 -62.47 -50.82 69.9 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.192 -0.913 . . . . 70.14 109.77 174.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.577 HD12 HG11 ' A' ' 5' ' ' VAL . 41.7 mm -63.35 -43.94 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.622 1.169 . . . . 71.34 112.678 -169.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 65' ' ' GLN . 73.5 mt -54.36 -45.34 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.856 1.263 . . . . 72.43 110.545 174.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.16 -33.23 75.51 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.462 -1.244 . . . . 75.04 110.893 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtp180 -75.56 -36.27 60.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.627 0.771 . . . . 74.34 111.058 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.11 -39.84 87.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.364 0.666 . . . . 65.13 110.557 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -57.56 -38.83 75.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 123.719 0.637 . . . . 55.25 111.557 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -79.92 -12.77 59.71 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.035 0.934 . . . . 75.52 112.574 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 61.74 30.07 18.27 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 123.953 0.783 . . . . 63.55 109.836 -166.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 19.5 t-20 -71.66 -27.11 62.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.631 -1.168 . . . . 74.45 109.798 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.402 HG21 ' HB ' ' A' ' 49' ' ' ILE . 27.6 mt -115.81 129.32 72.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.837 1.255 . . . . 73.24 108.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.67 -32.55 13.33 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.281 0.633 . . . . 74.12 111.433 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.2 ptm -150.09 129.86 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.644 0.735 . . . . 72.35 109.402 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.1 tt -133.69 146.17 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.426 1.091 . . . . 65.3 109.195 -168.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.421 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 55.2 mt -129.2 123.53 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.333 -0.988 . . . . 51.35 108.333 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -117.33 111.46 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.477 0.711 . . . . 63.43 109.869 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 13' ' ' ILE . 45.9 tptt -99.59 106.91 18.93 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.94 -0.763 . . . . 63.13 108.94 173.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.429 HG22 HG12 ' A' ' 51' ' ' VAL . 10.7 t -166.52 159.56 14.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.02 0.928 . . . . 74.33 109.473 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.596 0.758 . . . . 72.5 110.816 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -77.35 105.44 8.47 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.586 -0.894 . . . . 75.43 108.586 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -58.07 -33.45 69.06 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.36 1.464 . . . . 74.53 111.92 -172.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.05 -31.18 50.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.658 0.783 . . . . 74.24 111.578 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -66.85 -47.91 70.45 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.126 0.571 . . . . 74.11 109.498 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.05 -50.64 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 114.009 -1.451 . . . . 72.03 109.893 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -55.06 -51.31 66.75 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 124.517 1.135 . . . . 64.25 111.734 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 61.4 mm-40 -61.54 -45.86 92.36 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.82 0.7 . . . . 75.33 112.128 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.88 -49.56 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.397 0.435 . . . . 72.23 110.303 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 HG13 ' A' ' 75' ' ' ILE . 80.5 mt -59.83 -42.06 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 O-C-N 123.805 0.691 . . . . 62.23 110.593 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -57.67 -40.78 80.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.839 0.856 . . . . 74.14 110.96 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.3 mm100 -70.44 -35.36 73.33 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.708 -0.678 . . . . 73.22 111.145 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 ' HB3' ' A' ' 71' ' ' ALA . 74.7 t -77.59 -30.78 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 75.23 111.738 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.5 mt -67.01 -36.6 82.51 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.307 -0.627 . . . . 73.2 109.307 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.34 -41.62 32.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.526 -1.216 . . . . 62.35 111.775 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -77.87 -40.45 40.02 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.938 0.495 . . . . 63.23 110.606 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.05 44.8 4.03 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 115.76 -0.654 . . . . 72.5 112.473 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.69 174.01 6.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.282 0.633 . . . . 53.41 110.091 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -94.67 133.51 38.27 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 107.281 -1.377 . . . . 73.44 107.281 168.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.707 HG13 HG23 ' A' ' 93' ' ' VAL . 6.5 p -131.85 126.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.024 0.375 . . . . 52.31 110.43 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.414 ' HB3' HG12 ' A' ' 50' ' ' ILE . 56.1 tp -108.37 109.87 21.29 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.999 0.92 . . . . 72.54 108.908 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 45.8 mm -91.93 116.04 32.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 123.771 0.829 . . . . 74.11 109.115 175.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 92.4 mt -110.32 125.56 53.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.232 1.013 . . . . 65.21 108.364 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 t -145.54 151.56 38.33 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.988 -0.745 . . . . 62.21 108.988 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -74.87 -35.84 62.31 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.901 0.48 . . . . 70.15 111.304 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -88.43 127.26 35.5 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.27 0.557 . . . . 64.41 110.441 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' ' 97' ' ' ARG . 12.6 pt-20 -74.03 -18.29 60.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.957 -1.019 . . . . 54.21 111.725 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -82.32 -28.6 31.54 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.741 -0.466 . . . . 71.13 109.741 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 86' ' ' ILE . 75.6 mt -65.4 -54.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 N-CA-C 108.449 -0.945 . . . . 71.21 108.449 168.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 33.3 mm -50.99 -46.96 30.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 O-C-N 124.441 1.088 . . . . 72.25 110.655 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.23 -45.37 91.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.668 0.787 . . . . 74.52 111.208 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -61.66 -38.27 87.15 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.09 0.556 . . . . 42.32 110.942 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 HG11 ' A' ' 93' ' ' VAL . 46.5 mm -70.66 -29.78 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 123.103 0.561 . . . . 74.35 110.682 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 41.6 mtm180 -73.02 -37.02 67.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.73 0.412 . . . . 74.55 111.676 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.41 -37.72 31.63 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 111.682 0.252 . . . . 74.31 111.682 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.11 -45.82 66.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.913 0.485 . . . . 70.51 110.432 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' O ' HG12 ' A' ' 93' ' ' VAL . 22.9 m-85 -125.21 93.15 45.92 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.414 -0.958 . . . . 74.03 108.414 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.6 -29.34 52.29 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 C-N-CA 121.71 1.606 . . . . 51.1 113.913 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -80.96 -2.15 46.6 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 113.655 0.983 . . . . 72.4 113.655 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.707 HG23 HG13 ' A' ' 73' ' ' VAL . 11.3 p -82.46 147.94 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.166 0.439 . . . . 64.33 110.242 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.55 120.0 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.472 -1.307 . . . . 74.41 107.472 165.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 p -123.19 150.68 43.05 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.383 0.673 . . . . 61.42 109.248 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -158.32 126.01 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.652 -1.24 . . . . 72.24 107.652 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' HB3' ' A' ' 80' ' ' GLU . 66.6 ttt180 -67.17 118.31 10.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.42 -0.585 . . . . 73.04 109.42 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -137.72 105.85 5.72 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 107.247 -1.39 . . . . 55.32 107.247 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.94 -55.94 3.43 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.711 0.632 . . . . 73.14 109.897 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -96.22 159.22 15.07 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.778 -1.101 . . . . 63.02 109.472 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.37 -30.16 64.64 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.789 1.236 . . . . 64.4 112.437 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.2 pt-20 -62.27 -48.68 78.85 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.557 0.743 . . . . 73.24 110.523 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.55 -36.63 83.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.869 0.868 . . . . 72.22 111.41 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.8 t -67.41 -53.85 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 123.785 0.678 . . . . 65.14 110.755 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 58.4 pttt -63.33 -33.87 76.47 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.573 0.546 . . . . 55.04 111.32 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.74 -45.49 89.63 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.417 0.687 . . . . 75.35 111.389 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.94 85.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.432 0.693 . . . . 63.03 111.38 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 17' ' ' VAL . 72.1 t -62.51 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 124.099 0.96 . . . . 63.41 110.333 176.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.37 -48.29 68.71 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.93 0.892 . . . . 74.22 111.001 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.38 -18.9 58.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.384 1.074 . . . . 75.3 111.926 -176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.413 ' HB2' HD22 ' A' ' 74' ' ' LEU . 65.9 t80 -71.57 -39.49 70.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.429 -0.582 . . . . 61.14 109.429 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 28' ' ' ILE . 59.1 mt -80.07 -48.91 12.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.008 -0.996 . . . . 70.41 112.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -73.66 -34.22 64.82 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.056 0.543 . . . . 64.31 112.269 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 122.041 0.136 . . . . 73.43 110.661 176.802 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.42 0.629 . . . . 70.21 109.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.98 82.09 1.46 Allowed Glycine 0 C--N 1.344 1.007 0 N-CA-C 109.378 -1.489 . . . . 71.14 109.378 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.26 95.82 0.14 Allowed 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.462 0.705 . . . . 72.11 111.051 -174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -87.96 120.89 37.71 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 N-CA-C 108.004 -1.11 . . . . 73.33 108.004 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.2 t -124.24 117.41 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.454 -0.572 . . . . 75.23 109.454 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -88.63 146.96 24.79 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 75.15 109.844 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.5 tp -135.61 130.36 34.3 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.01 1.324 . . . . 74.0 108.462 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 38.1 t -156.09 138.81 15.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.627 0.771 . . . . 71.41 109.207 170.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.4 -21.17 60.56 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.949 0.9 . . . . 72.33 111.04 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -101.47 134.2 44.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.663 0.785 . . . . 75.31 110.509 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.09 -46.51 74.02 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.026 0.93 . . . . 75.14 112.33 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.48 -24.82 67.99 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.75 0.42 . . . . 73.53 112.061 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 101' ' ' LYS . 29.3 mm -68.95 -51.91 39.62 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 N-CA-C 109.141 -0.689 . . . . 52.13 109.141 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -54.77 -39.49 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.709 1.204 . . . . 63.45 111.371 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.51 -41.56 96.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.8 0.84 . . . . 74.42 111.365 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.655 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 43.9 mm-40 -74.46 -37.06 63.33 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.799 0.687 . . . . 74.22 112.083 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 HG11 ' A' ' 108' ' ' VAL . 78.1 t -68.09 -40.95 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.272 0.629 . . . . 74.33 110.515 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 t -67.07 -31.54 72.11 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.542 -0.754 . . . . 55.53 110.578 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.8 tppt? -71.23 -44.92 64.39 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.228 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -60.45 -39.39 87.37 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.18 0.592 . . . . 70.22 110.679 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.59 -26.14 66.12 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.724 -0.671 . . . . 65.44 111.542 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.0 -53.51 8.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.413 0.685 . . . . 63.41 110.399 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 12.9 mm-40 -55.52 -49.78 71.73 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.778 0.831 . . . . 55.52 111.774 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -85.49 -20.48 29.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.701 0.8 . . . . 65.21 112.275 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 38.13 47.74 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.526 -0.23 . . . . 54.15 112.526 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -83.34 143.86 30.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 73.44 111.298 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.87 107.87 16.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.238 1.015 . . . . 70.21 109.446 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 21' ' ' ALA . 22.2 mt -136.44 143.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.216 0.606 . . . . 51.34 109.475 174.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -105.55 114.52 28.73 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.269 -1.011 . . . . 73.32 108.269 165.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -96.91 132.93 42.18 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.583 -0.525 . . . . 74.21 109.583 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -131.66 149.63 52.43 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.101 0.96 . . . . 43.34 109.355 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.2 t-20 -101.19 -28.68 12.53 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.337 0.655 . . . . 74.34 110.74 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.82 120.07 36.48 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.515 0.726 . . . . 62.2 111.404 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 58' ' ' SER . 13.2 ptpt -69.18 -33.65 73.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.981 0.913 . . . . 72.25 112.98 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.39 -36.7 81.86 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.056 0.543 . . . . 73.15 110.533 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 23.3 tt0 -58.14 -50.3 73.99 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 114.955 -1.02 . . . . 70.3 109.587 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -62.95 -38.23 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 114.776 -1.102 . . . . 75.32 111.656 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 98.4 mt -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 123.459 0.703 . . . . 65.31 110.069 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 29.1 t70 -74.46 -31.05 62.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.224 0.609 . . . . 61.15 111.721 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.4 mtp180 -70.74 -34.37 71.8 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.166 0.508 . . . . 64.45 110.001 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.52 -26.42 55.22 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.19 -0.914 . . . . 65.2 110.833 173.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 10.3 mtpm? -64.78 -34.51 78.52 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.251 0.62 . . . . 65.3 110.566 170.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -85.6 -7.92 58.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.3 0.64 . . . . 74.35 111.163 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.32 21.73 10.01 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 125.077 1.351 . . . . 74.4 111.734 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -88.08 11.6 15.73 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.96 0.904 . . . . 71.54 112.581 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.521 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.2 mt -110.52 122.87 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 108.369 -0.975 . . . . 63.23 108.369 169.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.06 -39.28 23.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.272 0.629 . . . . 71.02 110.671 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.68 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 13.9 ptm -151.28 135.16 16.51 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.042 0.937 . . . . 65.12 108.903 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.4 tt -134.63 148.74 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.36 0.664 . . . . 71.3 110.343 -169.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.435 HG21 HG22 ' A' ' 108' ' ' VAL . 56.6 mt -133.1 119.11 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.023 -1.103 . . . . 64.15 108.023 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -115.51 114.87 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.488 0.715 . . . . 71.32 109.796 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -107.43 112.9 25.91 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.914 0.885 . . . . 73.01 109.401 173.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.424 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.0 t -174.84 162.88 3.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.556 1.142 . . . . 73.04 109.124 173.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.03 -8.56 30.11 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.466 0.707 . . . . 73.33 109.938 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.12 95.92 1.02 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 73.33 109.897 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -56.25 -30.2 62.1 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.848 1.259 . . . . 75.32 112.234 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.93 -47.77 84.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.119 0.967 . . . . 75.31 111.425 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 68.7 p -71.37 -48.31 50.9 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.852 0.461 . . . . 53.45 110.394 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.424 HD11 ' O ' ' A' ' 53' ' ' THR . 90.2 mt -51.04 -54.41 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 123.898 0.749 . . . . 75.25 110.656 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.34 -58.02 9.43 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 62.44 111.482 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 53.7 mm-40 -64.02 -42.73 97.03 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.598 0.592 . . . . 72.14 112.598 -172.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.643 HG21 HG21 ' A' ' 51' ' ' VAL . 1.6 mp -57.17 -49.08 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 123.537 0.523 . . . . 65.41 110.164 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 75' ' ' ILE . 86.9 mt -58.57 -42.93 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 122.669 0.388 . . . . 52.34 110.687 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -62.56 -30.88 71.64 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.826 0.85 . . . . 72.41 111.142 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.1 mm100 -77.75 -30.72 51.71 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 115.825 -0.625 . . . . 74.02 111.618 173.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.578 HG11 ' HB ' ' A' ' 73' ' ' VAL . 79.7 t -74.05 -30.61 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 122.965 0.506 . . . . 53.22 110.655 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.4 mt -62.27 -40.62 96.84 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.58 -0.526 . . . . 74.23 109.58 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.62 -42.1 91.93 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.253 -0.885 . . . . 73.31 110.852 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.8 p -80.41 -24.86 39.36 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.809 0.444 . . . . 51.21 112.135 -173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.59 25.96 74.86 Favored Glycine 0 C--N 1.348 1.23 0 O-C-N 123.234 0.334 . . . . 52.12 112.646 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -84.62 172.2 11.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.589 0.755 . . . . 62.0 111.217 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -84.57 139.34 32.17 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 107.815 -1.18 . . . . 60.43 107.815 170.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.687 HG13 HG23 ' A' ' 93' ' ' VAL . 4.6 p -136.17 130.85 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.146 0.578 . . . . 63.5 110.567 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -118.46 113.88 22.02 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.166 0.986 . . . . 63.44 108.805 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.52 ' HB ' HG22 ' A' ' 95' ' ' THR . 48.6 mm -97.67 125.61 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 123.479 0.712 . . . . 70.51 109.544 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -123.66 122.49 38.26 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.853 1.261 . . . . 74.44 108.257 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.6 p -146.56 152.55 39.13 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.641 -0.504 . . . . 54.24 109.641 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.5 t -67.33 -33.27 74.91 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.801 0.84 . . . . 74.1 110.684 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -91.23 122.64 34.03 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-N 115.202 -0.908 . . . . 72.3 111.045 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -72.28 -23.2 61.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.597 -1.183 . . . . 62.23 111.304 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -74.81 -33.85 62.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.992 -0.744 . . . . 74.55 108.992 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.437 HG12 ' HE2' ' A' ' 56' ' ' LYS . 80.9 mt -64.3 -54.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 N-CA-C 109.191 -0.67 . . . . 73.05 109.191 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' HB ' ' A' ' 95' ' ' THR . 31.2 mm -51.1 -53.75 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 124.179 0.924 . . . . 70.15 110.572 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 -38.17 90.1 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.771 0.828 . . . . 73.52 111.967 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 m -59.16 -42.82 91.68 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.498 0.319 . . . . 71.53 110.707 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.685 HG22 HG11 ' A' ' 93' ' ' VAL . 46.3 mm -69.17 -31.66 50.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.776 -0.647 . . . . 73.15 110.817 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 72.2 mtp85 -70.19 -46.44 64.59 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.979 0.512 . . . . 70.11 111.755 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -74.33 -30.41 62.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.533 0.333 . . . . 70.21 111.395 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -76.79 -41.66 43.65 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.808 0.443 . . . . 73.32 110.799 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 93' ' ' VAL . 34.9 m-85 -125.23 104.22 29.14 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 123.451 0.7 . . . . 64.45 109.143 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.51 -29.77 24.5 Favored 'Trans proline' 0 C--N 1.368 1.569 0 C-N-CA 122.18 1.92 . . . . 74.11 113.497 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -85.82 -6.63 59.07 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.714 1.005 . . . . 73.21 113.714 -173.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.687 HG23 HG13 ' A' ' 73' ' ' VAL . 12.4 p -75.69 141.94 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.097 0.408 . . . . 74.5 110.328 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.475 ' HG3' ' HE1' ' A' ' 111' ' ' PHE . 9.9 mm-40 -85.31 127.18 34.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 106.658 -1.608 . . . . 74.13 106.658 167.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 83' ' ' ILE . 3.2 p -135.85 140.53 44.24 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.868 0.467 . . . . 65.01 109.819 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -153.85 138.0 16.5 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.559 -0.904 . . . . 54.03 108.559 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.2 ttp-105 -77.54 119.87 21.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.648 -0.871 . . . . 73.42 108.648 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.03 105.17 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.22 -1.03 . . . . 71.43 108.22 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -94.6 -53.01 4.05 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.769 -0.826 . . . . 72.13 108.769 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.62 154.38 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.215 -0.902 . . . . 72.01 109.129 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.574 ' HB3' HD13 ' A' ' 13' ' ' ILE . 41.4 pttt -63.55 -20.35 65.56 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.353 1.061 . . . . 71.23 112.362 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.637 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 53.7 mm-40 -62.37 -50.2 72.49 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.439 0.696 . . . . 61.33 110.934 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -63.33 -33.19 74.98 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.087 -0.961 . . . . 73.12 112.019 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 13' ' ' ILE . 46.5 t -65.5 -57.28 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.595 -0.73 . . . . 65.44 110.138 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.655 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.4 pttt -65.96 -32.14 73.45 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.343 0.402 . . . . 75.13 111.669 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.89 -53.42 58.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.567 0.747 . . . . 73.11 111.058 170.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 96' ' ' ARG . . . -61.25 -38.86 88.19 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.998 0.811 . . . . 72.54 111.383 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.517 HG11 HG13 ' A' ' 17' ' ' VAL . 55.2 t -60.42 -48.23 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.424 -0.807 . . . . 73.01 109.654 176.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -62.16 -47.75 83.12 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.506 -0.77 . . . . 74.01 111.514 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -61.03 -37.01 81.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.924 0.89 . . . . 55.41 111.221 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.475 ' HE1' ' HG3' ' A' ' 94' ' ' GLU . 47.3 t80 -64.3 -42.5 96.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.384 -1.28 . . . . 61.02 110.087 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -79.44 -33.57 42.35 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.542 -0.754 . . . . 74.3 112.981 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -59.33 -44.92 92.55 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.21 0.529 . . . . 74.03 110.503 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -94.23 10.9 32.17 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.889 -1.051 . . . . 73.11 111.888 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.14 19.07 71.73 Favored Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.132 0.813 . . . . 50.32 115.132 170.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.35 9.57 5.93 Favored Glycine 0 N--CA 1.467 0.747 0 CA-C-N 117.071 0.436 . . . . 44.23 113.133 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.9 m -113.92 86.1 2.34 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.266 0.626 . . . . 60.1 109.894 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.415 ' HB2' ' HD1' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -95.5 -62.69 1.25 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.11 -0.7 . . . . 73.22 109.11 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.13 108.75 12.86 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.747 -0.66 . . . . 64.24 110.086 -173.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -165.6 113.72 0.97 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.856 1.262 . . . . 73.24 108.261 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -77.28 -164.45 0.47 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 109.211 -0.663 . . . . 45.22 109.211 169.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -72.36 76.3 1.02 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.569 0.7 . . . . 73.5 109.467 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -80.27 -31.95 38.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.923 -1.035 . . . . 73.15 110.158 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -94.89 116.84 29.22 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.715 -0.846 . . . . 73.22 108.715 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 40.9 t60 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 123.654 0.782 . . . . 74.14 110.805 178.617 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.846 -0.427 . . . . 70.34 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.86 66.37 1.94 Allowed Glycine 0 C--N 1.344 0.997 0 O-C-N 123.583 0.552 . . . . 65.5 112.502 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -63.75 103.18 0.53 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.808 0.443 . . . . 72.23 110.24 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -87.36 127.91 40.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 124.685 1.241 . . . . 64.14 109.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.7 t -131.43 123.32 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 108.458 -0.941 . . . . 60.51 108.458 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HB3' HG22 ' A' ' 30' ' ' THR . 70.6 t80 -102.59 131.24 49.47 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.169 -0.678 . . . . 73.42 109.169 173.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -124.09 140.72 52.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.479 1.112 . . . . 73.32 108.468 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 m -148.02 156.04 42.19 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.996 -0.742 . . . . 74.34 108.996 164.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.72 -25.82 41.03 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.472 -0.785 . . . . 64.42 109.255 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.48 143.3 28.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.643 0.777 . . . . 73.41 111.138 177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -76.3 -46.33 28.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.044 0.938 . . . . 62.31 112.258 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.19 -29.58 70.47 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.721 0.408 . . . . 62.04 111.968 -173.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.471 HG23 HG11 ' A' ' 104' ' ' VAL . 36.5 mm -62.6 -49.18 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.237 0 O-C-N 123.745 0.653 . . . . 74.22 110.086 172.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.44 -37.33 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.374 1.07 . . . . 75.21 111.832 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.0 -37.65 86.47 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.325 0.65 . . . . 73.33 110.791 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 60.2 mm-40 -67.36 -47.94 68.93 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.96 0.904 . . . . 74.41 111.779 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LYS . 76.1 t -66.88 -39.02 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.545 -0.752 . . . . 72.04 111.152 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 t -73.4 -30.59 63.35 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.294 0.638 . . . . 32.33 110.8 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.3 tppt? -66.39 -50.47 63.35 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.46 -0.571 . . . . 73.1 109.46 174.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -65.01 -33.19 75.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.094 0.558 . . . . 74.3 111.158 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.54 72.98 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.276 0.631 . . . . 74.41 111.218 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.61 -50.02 28.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.632 0.773 . . . . 70.33 110.474 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 14.3 mm-40 -59.46 -39.46 83.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.69 . . . . 63.32 111.86 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -92.48 -12.38 32.19 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.933 -0.576 . . . . 71.25 112.517 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.15 17.9 77.41 Favored Glycine 0 N--CA 1.47 0.926 0 O-C-N 123.195 0.31 . . . . 64.13 113.514 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 25.8 m-85 -69.45 114.51 7.75 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 122.799 0.44 . . . . 73.54 110.237 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.53 105.25 7.48 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.89 -0.781 . . . . 74.45 108.89 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 112' ' ' LEU . 32.3 mt -127.36 128.84 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.818 0.847 . . . . 62.41 109.355 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.58 ' HB3' HG22 ' A' ' 5' ' ' VAL . 19.0 tp60 -77.59 106.53 9.43 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.922 -1.14 . . . . 63.02 107.922 167.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 6' ' ' PHE . 24.2 p -98.96 141.2 32.03 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.31 0.644 . . . . 73.32 109.282 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.504 ' HB3' HD11 ' A' ' 37' ' ' ILE . 41.9 t -155.57 140.34 17.1 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.629 0.772 . . . . 54.21 110.289 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -83.03 -42.55 17.37 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.965 0.906 . . . . 65.41 109.702 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.89 110.3 7.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.272 -0.876 . . . . 73.42 110.771 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -64.52 -31.11 72.18 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.859 -1.064 . . . . 72.34 112.019 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.25 -32.31 72.41 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.81 0.444 . . . . 73.42 111.098 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 16.6 tp10 -60.47 -50.25 74.31 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.697 0.799 . . . . 73.24 109.469 172.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 31' ' ' SER . 44.9 mm -68.58 -39.84 81.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 115.235 -0.893 . . . . 74.13 112.574 -172.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.465 HG23 ' HG3' ' A' ' 65' ' ' GLN . 92.2 mt -58.49 -39.34 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.592 0.757 . . . . 75.45 109.683 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 13.3 t70 -68.67 -36.91 79.16 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.734 -1.121 . . . . 73.23 110.997 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 39.7 mtp85 -70.39 -31.79 69.18 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 122.997 0.519 . . . . 63.13 110.916 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.79 -33.08 73.26 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.778 0.831 . . . . 64.2 110.606 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 39' ' ' ASP . 67.1 mttm -63.63 -39.13 93.59 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.216 0.606 . . . . 63.14 110.752 171.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 24.7 mtt180 -76.48 -18.14 58.92 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.127 0.571 . . . . 70.1 110.301 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 69.55 22.91 6.12 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.613 1.565 . . . . 73.43 111.26 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.422 ' OD1' ' HD2' ' A' ' 43' ' ' ARG . 12.2 m120 -64.21 -24.74 67.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.996 0.918 . . . . 62.21 111.988 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.456 HG21 ' HB ' ' A' ' 49' ' ' ILE . 25.9 mt -96.36 133.43 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.706 0.803 . . . . 73.33 110.01 -171.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -97.32 -45.43 6.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.468 0.651 . . . . 63.43 109.9 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.3 ptm -138.87 132.74 30.96 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.075 -0.966 . . . . 73.42 109.088 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.2 tt -139.02 142.66 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.48 0.712 . . . . 75.22 109.44 -172.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.523 HD12 HG13 ' A' ' 108' ' ' VAL . 63.8 mt -129.18 122.11 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 107.97 -1.122 . . . . 73.43 107.97 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 62' ' ' ILE . 58.4 t -118.24 120.95 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.622 0.769 . . . . 61.33 109.657 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -110.15 107.07 16.75 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.09 -0.708 . . . . 71.52 109.09 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.45 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.1 t -164.84 156.84 15.73 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.344 1.058 . . . . 72.31 108.352 170.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.7 mp0 -93.45 -16.11 24.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.688 0.795 . . . . 71.32 109.992 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.23 96.82 0.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.316 0.646 . . . . 61.21 109.299 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -56.05 -31.61 63.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.318 1.047 . . . . 63.44 112.919 -175.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -73.12 -37.37 66.69 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.417 0.687 . . . . 64.11 111.236 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.2 p -74.04 -43.75 56.73 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.837 0.455 . . . . 53.53 110.138 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 53' ' ' THR . 88.4 mt -51.75 -47.49 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.193 0.933 . . . . 72.4 109.875 173.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -52.23 -52.91 49.61 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.284 -1.325 . . . . 70.14 112.087 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.3 -49.62 76.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.432 0.693 . . . . 63.44 111.456 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -58.31 -50.71 77.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.67 0.606 . . . . 71.3 110.417 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 75' ' ' ILE . 69.0 mt -59.13 -41.01 82.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 O-C-N 123.446 0.466 . . . . 64.04 110.879 -178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -57.81 -41.02 81.3 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.095 0.558 . . . . 71.35 110.934 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 38' ' ' ILE . 13.3 mm100 -69.65 -33.57 72.78 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 123.652 0.595 . . . . 75.25 111.32 177.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 71' ' ' ALA . 90.6 t -76.99 -28.57 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 C-N-CA 123.657 0.783 . . . . 73.13 111.127 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -68.46 -43.33 77.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 108.202 -1.036 . . . . 64.1 108.202 173.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.29 -41.94 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.149 -1.387 . . . . 75.13 111.461 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -88.51 -16.52 32.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.076 0.55 . . . . 44.51 112.456 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.37 42.21 83.1 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.265 0.353 . . . . 74.1 113.558 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -103.88 174.97 5.64 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.697 0.799 . . . . 74.14 111.985 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 135.79 33.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.912 0.885 . . . . 71.15 108.654 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG23 ' A' ' 93' ' ' VAL . 7.1 p -144.09 139.38 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 122.646 0.379 . . . . 63.22 111.365 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.3 tp -118.59 116.6 26.95 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 108.188 -1.042 . . . . 73.02 108.188 173.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 46.2 mm -97.25 122.88 49.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.228 -0.656 . . . . 73.1 109.228 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -113.79 129.64 56.56 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.345 1.058 . . . . 65.34 108.4 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.6 m -143.07 139.54 30.54 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.099 -1.075 . . . . 64.14 108.099 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.8 p -64.39 -26.93 68.68 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 122.971 0.508 . . . . 64.0 110.919 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -95.94 121.34 37.58 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.029 -0.987 . . . . 55.41 110.017 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 13.4 pt-20 -83.4 -13.79 54.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.75 0.82 . . . . 71.42 112.564 -174.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -30.16 48.6 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.036 -0.727 . . . . 71.54 109.036 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.568 HG23 ' HG2' ' A' ' 56' ' ' LYS . 66.2 mt -67.38 -49.33 72.71 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 115.042 -0.981 . . . . 75.54 109.014 168.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 27.2 mm -53.35 -41.89 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 123.477 0.485 . . . . 64.53 111.351 173.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.72 -45.97 90.25 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.153 0.981 . . . . 71.54 110.309 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 t -61.02 -38.62 86.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.032 0.933 . . . . 74.21 111.569 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.0 mm -69.39 -34.11 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.467 0.707 . . . . 71.2 111.146 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 18.2 mtm180 -75.98 -30.28 58.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.565 0.346 . . . . 53.24 111.802 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -88.47 -32.46 18.24 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 111.956 0.354 . . . . 75.32 111.956 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -77.07 -42.55 37.85 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.923 0.489 . . . . 70.21 110.076 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-85 -119.7 95.88 49.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 107.658 -1.238 . . . . 71.24 107.658 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.19 -26.68 35.93 Favored 'Trans proline' 0 C--N 1.363 1.296 0 C-N-CA 122.048 1.832 . . . . 74.22 113.445 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.01 7.86 44.75 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.659 0.985 . . . . 74.24 113.659 -170.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 73' ' ' VAL . 9.7 p -90.88 132.22 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 118.227 0.467 . . . . 72.43 110.444 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.35 131.65 41.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.72 -0.844 . . . . 73.13 108.72 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 80.7 p -136.47 161.82 34.78 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.301 0.64 . . . . 64.24 110.054 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -159.31 139.4 11.96 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.173 -1.047 . . . . 72.42 108.173 169.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 48.1 ttp180 -67.69 123.22 19.88 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.468 -0.938 . . . . 74.24 108.468 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.36 102.39 6.16 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 107.885 -1.154 . . . . 64.02 107.885 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.33 -63.64 1.37 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.309 0.644 . . . . 72.41 109.553 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.3 m-20 -77.72 156.77 30.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.381 -1.281 . . . . 73.43 109.979 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.59 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.3 pttp -60.43 -26.84 67.03 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.832 0.853 . . . . 72.12 110.135 169.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 21.5 mm-40 -62.85 -51.93 65.11 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.527 1.131 . . . . 72.32 110.454 172.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HG2' ' HB2' ' A' ' 100' ' ' ASP . 18.7 mm-40 -54.48 -40.41 68.46 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.743 0.817 . . . . 54.43 111.4 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG11 HG23 ' A' ' 13' ' ' ILE . 48.5 t -67.49 -58.13 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 123.816 0.698 . . . . 71.43 111.448 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 56.5 pttt -65.06 -34.45 78.46 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.447 0.467 . . . . 72.23 111.832 -171.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.48 -31.52 63.8 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.387 0.675 . . . . 75.45 112.293 174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.485 0.314 . . . . 65.32 111.008 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 98.4 t -67.06 -56.96 11.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 108.897 -0.779 . . . . 55.32 108.897 174.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 41.5 tt0 -49.49 -44.02 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.099 1.36 . . . . 65.34 111.688 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 33.4 tt0 -68.04 -47.56 68.05 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.065 0.853 . . . . 74.51 111.234 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -58.24 -27.23 63.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.957 0.903 . . . . 74.34 110.605 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 61.2 mt -80.79 -43.45 20.09 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.936 0.894 . . . . 71.32 111.566 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.472 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.9 mttm -59.96 -43.76 94.85 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.808 0.443 . . . . 71.33 110.54 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 110' ' ' GLU . 9.0 mm-40 -77.97 -20.23 53.06 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.291 -0.868 . . . . 73.44 110.61 -178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.44 -44.37 2.77 Favored Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.792 -0.523 . . . . 35.15 111.792 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.44 145.73 12.69 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.233 -1.547 . . . . 71.32 109.233 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.61 ' HB2' ' HA ' ' A' ' 121' ' ' HIS . 67.4 m 62.08 175.7 0.13 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.339 1.237 . . . . 73.21 114.339 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.0 mt -122.88 -52.84 1.88 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.842 0.857 . . . . 71.41 110.263 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.98 -66.82 0.59 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.026 0.441 . . . . 71.13 110.042 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -126.96 127.81 45.42 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.023 -1.103 . . . . 73.24 108.023 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.61 ' HA ' ' HB2' ' A' ' 117' ' ' SER . 28.4 m-70 -79.29 129.97 34.99 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.226 1.01 . . . . 63.32 112.889 -156.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 7.7 t-160 -79.76 74.67 6.46 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.472 1.109 . . . . 74.31 108.995 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -94.0 53.6 1.8 Allowed 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.221 1.01 . . . . 75.33 109.65 177.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -149.87 122.94 8.84 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.113 -1.403 . . . . 75.44 108.519 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.2 p80 . . . . . 0 C--O 1.248 0.984 0 C-N-CA 123.776 0.83 . . . . 74.51 109.071 -179.72 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.073 -0.714 . . . . 75.5 109.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.83 87.13 1.41 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 115.78 -0.646 . . . . 61.2 112.886 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -155.71 97.8 1.87 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.134 0.492 . . . . 63.51 110.513 165.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -94.11 135.08 29.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.545 -1.207 . . . . 72.1 107.907 166.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 29' ' ' GLN . 70.3 t -129.15 119.79 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.652 -0.87 . . . . 64.31 108.652 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' HB3' HG22 ' A' ' 30' ' ' THR . 84.9 t80 -98.74 118.32 35.2 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.468 -0.568 . . . . 75.32 109.468 173.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.9 tp -103.67 141.33 36.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 123.818 0.847 . . . . 72.23 108.776 170.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -150.85 146.78 26.56 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.047 -0.723 . . . . 74.5 109.047 167.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -86.76 -17.04 34.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.583 -0.735 . . . . 71.55 109.649 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.2 129.9 48.71 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 70.25 109.636 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 14' ' ' ILE . 26.6 tp60 -67.62 -42.33 82.51 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 75.42 113.356 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -58.13 -45.6 87.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.459 0.304 . . . . 52.11 110.471 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 101' ' ' LYS . 17.8 mm -51.53 -49.76 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 O-C-N 124.112 0.882 . . . . 63.31 111.619 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 30' ' ' THR . 86.6 mt -54.78 -48.61 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.16 0.984 . . . . 74.21 110.659 -178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 -33.94 76.73 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 124.018 0.824 . . . . 70.53 111.645 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 56.1 mm-40 -64.43 -49.46 71.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.006 0.523 . . . . 65.51 111.55 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG11 ' A' ' 108' ' ' VAL . 97.4 t -71.58 -37.62 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.683 -0.689 . . . . 73.12 111.281 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 30' ' ' THR . 30.2 t -69.22 -39.12 78.76 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.134 0.574 . . . . 50.11 111.012 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 16.4 tppt? -66.2 -44.26 84.44 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.57 0.544 . . . . 75.51 110.158 176.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.17 -36.2 83.47 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.542 0.737 . . . . 61.52 111.145 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -67.54 -31.85 72.23 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.67 -0.696 . . . . 74.11 110.884 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.08 -40.14 71.75 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.613 0.571 . . . . 63.42 110.253 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 46.0 mt-10 -57.45 -48.5 79.0 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.172 0.589 . . . . 75.43 110.411 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -85.03 -16.57 40.28 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.402 -0.817 . . . . 64.43 112.81 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.32 21.89 76.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.549 0.531 . . . . 61.13 113.068 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -72.72 120.68 18.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.258 0.623 . . . . 72.1 110.445 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.09 93.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 109.09 -0.707 . . . . 74.43 109.09 170.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ALA . 30.4 mt -123.69 122.73 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.544 0.738 . . . . 63.1 109.503 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB3' HG22 ' A' ' 5' ' ' VAL . 7.6 tp-100 -82.62 113.13 20.1 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.78 -0.822 . . . . 74.42 108.78 171.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 14' ' ' ILE . 41.6 p -105.72 134.5 48.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 122.956 0.502 . . . . 72.25 110.001 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.488 ' HB3' HD11 ' A' ' 37' ' ' ILE . 47.1 t -151.57 161.07 43.31 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 123.397 0.679 . . . . 50.22 110.335 -177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.99 -32.53 9.19 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.353 1.061 . . . . 63.2 109.262 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.3 104.61 10.04 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 115.61 -0.723 . . . . 74.33 109.96 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -64.76 -28.16 69.39 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.04 -0.982 . . . . 73.0 111.557 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -68.86 -37.47 79.12 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.797 0.839 . . . . 63.31 110.9 -173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 22.3 tt0 -62.51 -48.15 80.82 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.568 -0.742 . . . . 64.33 109.589 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 31' ' ' SER . 51.5 mm -64.14 -36.46 77.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.005 -0.998 . . . . 72.51 111.216 -173.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.4 mt -58.97 -44.65 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.846 0.858 . . . . 64.31 110.288 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 24.1 t70 -65.52 -33.68 76.49 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.232 -0.895 . . . . 72.15 110.81 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.1 mtp180 -74.4 -28.63 61.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.359 0.664 . . . . 71.14 110.926 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.7 mt -68.78 -34.83 76.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.516 0.726 . . . . 64.42 110.405 170.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 27.4 mtpp -66.81 -33.13 74.93 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.88 0.872 . . . . 64.51 111.686 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.6 mtt180 -71.06 -15.93 62.56 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.111 0.564 . . . . 74.1 111.033 175.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.15 22.37 11.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.893 1.277 . . . . 55.12 110.626 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.63 -22.34 47.08 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.555 0.742 . . . . 45.25 110.954 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.3 mt -97.54 125.76 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 123.558 0.743 . . . . 75.52 109.492 -176.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -89.98 -41.59 11.65 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.147 0.499 . . . . 74.14 110.494 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.6 ptm -145.33 138.85 26.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.51 -0.768 . . . . 74.12 108.996 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.449 ' HB ' HG21 ' A' ' 46' ' ' ILE . 8.7 tt -138.49 147.34 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.681 0.792 . . . . 75.01 109.649 -171.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' A' ' 74' ' ' LEU . 59.9 mt -132.86 119.8 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 108.351 -0.981 . . . . 73.4 108.351 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG21 HG21 ' A' ' 62' ' ' ILE . 59.2 t -115.28 123.58 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.62 0.768 . . . . 75.33 109.986 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.1 tptp -113.57 110.87 20.94 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.92 0.888 . . . . 74.54 109.396 173.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 59' ' ' ILE . 4.8 t -163.3 152.08 14.28 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.114 0.565 . . . . 72.05 110.492 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.6 0.38 57.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.565 1.146 . . . . 71.45 110.446 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -92.22 108.47 19.97 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.188 -0.671 . . . . 63.51 109.188 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -52.33 -38.29 58.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.138 1.375 . . . . 72.12 113.062 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.71 -38.57 64.78 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.539 0.525 . . . . 74.21 110.578 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' HD13 ' A' ' 62' ' ' ILE . 48.4 m -66.87 -42.27 85.91 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.325 0.65 . . . . 75.45 110.08 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 75' ' ' ILE . 75.9 mt -59.62 -53.03 54.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.281 -0.872 . . . . 73.51 109.903 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 t -55.47 -51.74 65.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.319 1.048 . . . . 71.52 112.127 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 38.4 mm-40 -56.46 -48.91 76.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.544 0.738 . . . . 71.1 111.749 -175.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.27 -50.01 79.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 123.791 0.682 . . . . 65.1 110.442 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD11 HG13 ' A' ' 75' ' ' ILE . 65.7 mt -58.42 -43.36 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 123.158 0.286 . . . . 74.43 110.717 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.25 -43.7 83.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.562 0.745 . . . . 61.42 110.759 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 14.7 mm100 -60.24 -50.52 73.33 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.292 175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 71' ' ' ALA . 95.9 t -66.01 -39.63 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.299 1.04 . . . . 74.44 112.246 -171.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 87.2 mt -67.68 -37.41 82.31 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.094 0.473 . . . . 64.21 110.532 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.74 -35.99 60.03 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.504 -0.771 . . . . 71.03 110.469 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -80.62 -16.18 54.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.778 0.831 . . . . 73.32 111.628 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.26 59.62 6.67 Favored Glycine 0 C--N 1.349 1.289 0 O-C-N 123.166 0.291 . . . . 72.34 112.769 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.561 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -127.32 172.65 10.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.461 0.705 . . . . 75.05 109.519 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HG2' ' HA2' ' A' ' 116' ' ' GLY . 3.4 mppt? -91.92 142.86 27.09 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 109.342 -0.614 . . . . 74.32 109.342 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.76 132.47 19.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.225 0.61 . . . . 74.13 110.462 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.532 ' HB3' HG12 ' A' ' 50' ' ' ILE . 43.7 tp -115.08 124.58 51.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.219 1.008 . . . . 73.4 108.341 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 63' ' ' ILE . 37.6 mm -106.46 123.88 61.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 123.712 0.805 . . . . 73.31 109.278 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 78.9 mt -121.16 133.01 55.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.69 1.196 . . . . 60.12 107.972 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -156.14 143.06 18.89 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.835 -0.802 . . . . 63.33 108.835 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.5 p -64.17 -29.51 70.62 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.76 0.824 . . . . 54.31 110.98 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -92.12 109.74 21.1 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.168 -0.924 . . . . 74.24 109.2 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.26 -12.53 59.96 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 71.41 112.218 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -72.49 -38.52 68.14 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 108.683 -0.858 . . . . 60.15 108.683 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.0 mt -66.83 -47.41 82.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.983 -0.747 . . . . 74.44 108.983 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 30.1 mm -52.25 -45.42 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 124.054 0.846 . . . . 75.05 110.659 175.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.62 -37.72 79.98 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.826 0.45 . . . . 71.43 111.732 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -60.75 -38.25 84.56 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.296 0.569 . . . . 62.32 110.166 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.38 -33.61 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.881 -1.054 . . . . 74.14 111.091 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 71.6 mtp85 -68.27 -49.1 62.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.644 0.378 . . . . 74.44 111.492 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -73.71 -33.19 64.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.877 -0.601 . . . . 71.1 111.808 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -80.4 -37.85 31.39 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.559 0.344 . . . . 60.21 111.272 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -125.26 101.77 31.11 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.279 0.632 . . . . 74.25 109.349 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.06 -39.99 5.33 Favored 'Trans proline' 0 C--N 1.369 1.625 0 C-N-CA 122.299 1.999 . . . . 64.51 114.013 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -75.51 -15.14 60.43 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.608 0.966 . . . . 63.22 113.608 -168.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.736 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -76.15 141.38 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 122.461 0.305 . . . . 63.44 110.554 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -83.23 136.3 34.45 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.825 -0.806 . . . . 63.15 108.825 169.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 10.0 p -139.72 147.46 40.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.831 0.452 . . . . 72.14 110.772 -173.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.751 HH11 ' HB2' ' A' ' 107' ' ' ALA . 55.9 ttt180 -160.91 139.3 9.86 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.621 0.768 . . . . 72.32 108.989 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -69.55 131.69 45.07 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.936 -0.764 . . . . 75.21 108.936 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.15 104.55 4.3 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.655 -1.239 . . . . 35.21 107.655 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -86.78 -52.25 5.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.898 0.479 . . . . 55.24 110.376 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -92.44 152.1 19.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.498 -0.774 . . . . 75.34 109.802 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 13' ' ' ILE . 39.3 pttt -60.97 -20.07 61.89 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.587 1.155 . . . . 64.02 112.27 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -54.64 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 72.3 110.598 169.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.84 -34.19 72.77 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.019 0.928 . . . . 70.34 111.595 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.561 HG21 HD12 ' A' ' 13' ' ' ILE . 48.2 t -68.09 -60.21 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 O-C-N 123.712 0.632 . . . . 75.22 110.544 -177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.9 pttt -64.47 -31.4 72.6 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.487 0.492 . . . . 72.24 111.209 -174.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.87 -58.02 8.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.842 1.257 . . . . 73.31 111.277 168.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.751 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -63.31 -32.27 73.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.527 0.731 . . . . 44.41 111.399 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.506 ' HA ' HD13 ' A' ' 50' ' ' ILE . 60.2 t -58.65 -53.76 42.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 O-C-N 124.103 0.877 . . . . 75.32 109.549 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 78.3 tt0 -58.74 -43.66 90.29 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.867 0.729 . . . . 75.41 111.006 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -61.96 -38.73 89.61 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.6 0.76 . . . . 72.45 111.835 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.61 -32.58 73.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.977 0.911 . . . . 74.42 110.254 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 82.5 mt -82.64 -27.21 31.52 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.031 -0.986 . . . . 74.43 112.462 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mttm -62.16 -44.73 95.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.877 0.471 . . . . 61.04 110.613 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -86.45 -21.43 27.07 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.842 -0.617 . . . . 75.41 110.521 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.42 34.73 90.7 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.903 0.752 . . . . 54.51 113.383 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.546 ' HA2' ' HG2' ' A' ' 72' ' ' LYS . . . -171.42 -46.02 0.04 OUTLIER Glycine 0 C--N 1.341 0.851 0 N-CA-C 112.406 -0.278 . . . . 15.31 112.406 -175.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -145.23 173.28 12.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.825 0.345 . . . . 71.42 111.098 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.18 159.18 27.49 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.225 -0.898 . . . . 65.42 109.856 172.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.79 127.16 31.43 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.919 0.888 . . . . 64.33 111.164 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -80.11 57.34 2.66 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 122.194 0.997 . . . . 74.21 110.05 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -149.87 -50.37 0.14 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.399 1.079 . . . . 72.03 108.38 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -92.17 14.8 15.08 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.745 -0.662 . . . . 74.31 111.232 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -64.49 -20.37 66.15 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 122.096 -0.377 . . . . 71.24 112.014 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -56.11 123.98 16.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.285 0.634 . . . . 70.21 110.331 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.252 1.227 0 O-C-N 123.914 0.759 . . . . 75.32 110.238 176.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.307 0.098 . . . . 54.33 111.05 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.595 ' HA3' ' HB2' ' A' ' 47' ' ' ASP . . . 77.07 -110.39 3.01 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-O 119.599 -0.556 . . . . 73.41 111.983 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -162.16 133.55 5.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.152 0.581 . . . . 74.44 110.764 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.93 122.42 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.436 1.095 . . . . 63.32 108.347 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 HD12 ' A' ' 37' ' ' ILE . 58.2 t -128.62 138.11 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.686 0.794 . . . . 73.21 110.235 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.505 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.6 t80 -114.31 144.6 42.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.597 0.759 . . . . 75.23 108.993 170.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -136.64 140.51 42.84 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.783 1.233 . . . . 61.42 108.893 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.4 t -157.43 160.64 38.56 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.563 0.745 . . . . 54.13 109.613 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.43 -44.43 74.97 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.523 -0.917 . . . . 75.43 108.523 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.88 144.17 27.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 113.592 -1.64 . . . . 61.24 112.174 -163.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.28 -48.0 58.73 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.352 1.061 . . . . 73.33 112.146 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.73 -33.59 70.41 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.284 0.633 . . . . 73.24 111.381 -174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.7 mm -61.93 -52.86 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.163 -0.926 . . . . 65.03 109.351 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 30' ' ' THR . 37.2 mt -59.43 -37.01 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.987 1.315 . . . . 74.01 111.732 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.79 -42.47 85.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.215 0.606 . . . . 62.5 110.488 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 60.3 mm-40 -66.37 -43.65 85.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.87 0.868 . . . . 71.0 111.769 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.703 HG13 HG11 ' A' ' 108' ' ' VAL . 39.5 t -63.54 -49.93 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.092 -0.958 . . . . 61.25 111.267 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -70.61 -26.36 63.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.932 0.893 . . . . 34.52 110.939 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -67.56 -53.22 30.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.51 0.724 . . . . 74.31 110.129 174.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -66.62 -38.38 86.83 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.997 0.427 . . . . 71.43 109.889 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.42 97.03 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.02 -0.991 . . . . 73.33 111.159 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.37 -48.77 79.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.706 0.802 . . . . 75.51 110.713 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 13.5 mm-40 -61.76 -41.12 97.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.628 0.771 . . . . 72.22 112.337 -177.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -90.63 -8.04 51.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.179 0.437 . . . . 73.12 112.179 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.86 6.4 72.47 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.803 -0.443 . . . . 55.43 113.938 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 29.7 m-85 -71.08 121.41 18.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.301 0.64 . . . . 65.33 110.162 175.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.67 119.41 30.88 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.279 0.631 . . . . 73.4 109.357 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 112' ' ' LEU . 29.8 mt -129.6 140.02 50.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 C-N-CA 123.955 0.902 . . . . 72.32 108.989 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 5' ' ' VAL . 61.1 tp60 -92.53 108.93 20.34 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.231 -1.026 . . . . 71.23 108.231 170.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 6' ' ' PHE . 59.7 p -98.13 140.17 32.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.45 0.7 . . . . 73.12 109.893 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -152.1 152.06 31.87 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.299 0.64 . . . . 74.14 110.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -101.79 -24.47 14.05 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.955 0.902 . . . . 73.33 109.828 172.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -84.76 101.01 11.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.514 -0.55 . . . . 75.11 109.514 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -65.89 -28.71 69.15 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.452 1.101 . . . . 61.44 112.834 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -69.12 -36.85 77.95 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.276 0.631 . . . . 62.11 110.988 -175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.51 -42.92 99.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.748 1.219 . . . . 72.12 110.114 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.438 HD12 HG11 ' A' ' 5' ' ' VAL . 42.4 mm -68.45 -41.34 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 114.886 -1.052 . . . . 52.22 111.108 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.64 HG23 ' HG3' ' A' ' 65' ' ' GLN . 80.6 mt -59.06 -39.44 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.305 1.042 . . . . 65.52 109.854 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 37.0 t70 -63.39 -41.92 98.78 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.138 0.899 . . . . 73.25 110.632 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -69.18 -33.19 72.99 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.21 0.604 . . . . 64.53 111.253 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.78 -29.55 64.59 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.613 0.765 . . . . 74.24 110.411 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -72.77 -26.44 61.54 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.854 0.862 . . . . 72.4 110.817 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 64.9 mtt-85 -85.17 -12.65 52.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.31 0.644 . . . . 73.03 111.645 173.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 62.91 30.14 16.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.134 0.974 . . . . 65.42 111.081 -175.358 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -88.26 -2.79 58.81 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.38 0.672 . . . . 61.04 112.809 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mt -111.33 125.91 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 122.83 0.452 . . . . 73.13 109.995 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.595 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 24.2 t70 -81.48 -52.27 7.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.068 0.947 . . . . 73.15 110.414 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 ptm -139.38 139.25 37.13 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.328 -0.851 . . . . 73.41 109.185 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.1 tt -141.2 145.06 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.468 0.707 . . . . 63.11 109.685 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 108' ' ' VAL . 62.0 mt -129.78 128.01 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.454 -1.313 . . . . 72.01 107.454 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 62' ' ' ILE . 40.4 t -127.19 115.84 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.283 0.633 . . . . 51.31 110.192 -175.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 27.0 tptp -97.02 105.68 17.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.645 -0.872 . . . . 62.12 108.645 170.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.531 HG22 HG12 ' A' ' 51' ' ' VAL . 9.0 t -160.49 144.81 14.14 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.454 -0.943 . . . . 74.22 108.454 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -99.06 -10.36 22.69 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.856 0.462 . . . . 65.0 109.897 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.98 101.94 2.3 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.691 0.796 . . . . 72.11 109.249 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -54.54 -35.4 63.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.074 1.35 . . . . 60.11 113.065 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 48.0 mm-40 -61.94 -49.0 77.87 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.471 -0.566 . . . . 60.11 109.471 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 m -65.56 -43.98 88.14 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.443 0.697 . . . . 60.23 111.248 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.53 -56.69 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.888 0.875 . . . . 71.41 110.242 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -59.43 -42.89 92.94 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.365 1.041 . . . . 62.42 111.008 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 32.7 mm-40 -51.63 -58.76 5.45 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.23 0.956 . . . . 73.03 111.024 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.596 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -57.35 -48.77 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.308 1.005 . . . . 75.4 110.493 -177.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.0 mt -56.79 -49.05 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 123.819 0.699 . . . . 75.14 110.899 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -55.18 -41.67 72.2 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.143 0.977 . . . . 73.32 110.62 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HG3' HG23 ' A' ' 38' ' ' ILE . 9.9 mm100 -74.21 -28.94 61.5 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.348 -0.842 . . . . 73.22 112.044 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 71' ' ' ALA . 62.0 t -75.18 -35.23 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.859 0.864 . . . . 71.41 110.347 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 80.1 mt -66.68 -43.18 85.13 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.738 -0.838 . . . . 74.44 108.738 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.08 -36.08 82.84 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.936 -1.029 . . . . 34.34 110.852 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 22.5 t -76.6 -25.0 53.44 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.832 -0.622 . . . . 72.0 111.588 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 51.88 48.99 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.399 -0.68 . . . . 72.11 111.399 -170.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.59 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -118.08 173.39 6.81 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.052 0.941 . . . . 72.44 110.792 -174.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HG2' ' HA3' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -91.57 141.55 28.6 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.927 0.891 . . . . 74.42 108.6 173.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 93' ' ' VAL . 6.8 p -143.31 137.0 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.999 0.52 . . . . 71.12 111.23 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 118' ' ' LEU . 34.2 tp -117.46 115.68 25.65 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.363 1.065 . . . . 72.35 108.473 171.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 95' ' ' THR . 37.4 mm -97.2 121.86 48.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 C-N-CA 123.654 0.781 . . . . 75.02 109.506 176.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.3 mt -116.33 119.8 36.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.789 1.236 . . . . 61.3 107.951 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -136.44 143.23 43.78 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 107.679 -1.23 . . . . 64.54 107.679 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.1 m -66.42 -33.74 76.38 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 123.558 0.536 . . . . 73.02 111.378 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -89.55 127.64 35.91 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.628 0.771 . . . . 63.04 111.325 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.62 -32.5 73.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.808 1.243 . . . . 73.51 112.731 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -76.26 -30.34 57.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.318 0.647 . . . . 71.13 110.167 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.6 mt -71.56 -46.88 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 109.376 -0.601 . . . . 73.11 109.376 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.742 HG22 ' HE ' ' A' ' 87' ' ' ARG . 24.9 mm -55.18 -36.68 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.1 0.56 . . . . 62.21 110.577 171.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.56 -45.74 85.79 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.657 1.183 . . . . 71.23 111.902 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 m -64.74 -38.0 89.52 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.966 0.506 . . . . 63.11 110.791 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 82' ' ' ILE . 40.7 mm -68.52 -34.49 65.72 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.521 -0.763 . . . . 62.2 110.618 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HE ' HG22 ' A' ' 83' ' ' ILE . 35.2 mtm180 -69.17 -42.33 76.04 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.547 0.739 . . . . 74.04 112.446 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.63 -29.51 36.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.437 0.295 . . . . 55.34 111.69 -171.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.47 -40.5 17.64 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.92 0.39 . . . . 63.21 110.574 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -119.55 101.16 48.96 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 108.789 -0.819 . . . . 74.11 108.789 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.92 -34.53 10.57 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.026 1.817 . . . . 72.3 113.168 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -84.38 -10.51 57.5 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.414 0.894 . . . . 75.2 113.414 -167.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.719 HG23 HG13 ' A' ' 73' ' ' VAL . 7.5 p -74.96 129.94 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.767 0.427 . . . . 72.42 110.353 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 9.1 mm-40 -68.29 115.58 7.9 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.315 -0.994 . . . . 74.5 108.315 167.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.54 ' HB ' HG23 ' A' ' 83' ' ' ILE . 12.5 p -124.35 146.8 48.61 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 123.546 0.739 . . . . 73.41 109.811 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -158.29 129.52 6.5 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.104 -0.953 . . . . 72.25 108.685 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' NH1' ' HG3' ' A' ' 99' ' ' GLN . 2.0 ttp85 -67.42 128.88 38.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.978 -0.749 . . . . 75.0 108.978 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.62 114.72 6.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.011 -1.107 . . . . 72.44 108.011 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.484 ' HG3' ' NH1' ' A' ' 97' ' ' ARG . 30.1 mt-30 -97.43 -56.27 2.58 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.272 0.358 . . . . 72.41 110.154 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.7 152.44 21.34 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.601 -0.518 . . . . 71.4 109.601 -175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HB3' HD13 ' A' ' 13' ' ' ILE . 54.3 pttt -61.28 -21.14 63.66 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.359 1.064 . . . . 64.12 112.75 -177.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 28.9 mm-40 -64.47 -50.65 66.63 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.285 0.634 . . . . 74.4 110.59 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.78 -29.86 70.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.543 -1.208 . . . . 75.0 111.327 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.514 HG11 HG23 ' A' ' 13' ' ' ILE . 61.9 t -69.81 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 123.374 0.67 . . . . 73.14 110.67 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 63.5 pttt -62.13 -33.54 74.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 123.503 0.502 . . . . 71.1 111.164 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.79 -51.08 71.26 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.786 0.834 . . . . 74.55 111.002 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.72 83.83 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 124.114 0.884 . . . . 65.03 111.256 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.703 HG11 HG13 ' A' ' 17' ' ' VAL . 75.7 t -61.92 -60.95 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 73.11 109.751 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.405 ' HG3' ' HE2' ' A' ' 26' ' ' TYR . 30.0 tt0 -49.85 -41.98 46.4 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.599 1.16 . . . . 72.25 111.357 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.1 -47.8 83.94 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.554 1.542 . . . . 72.1 110.874 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -68.2 -33.14 73.88 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.796 1.238 . . . . 63.32 111.031 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 77.2 mt -71.03 -34.39 71.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.296 1.038 . . . . 64.31 111.861 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -55.93 -36.86 68.2 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.563 0.745 . . . . 72.13 112.928 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -98.68 -14.22 19.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.099 0.56 . . . . 74.44 111.236 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.33 77.91 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.472 0.483 . . . . 54.02 112.87 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' A' ' 72' ' ' LYS . . . 170.56 16.68 0.02 OUTLIER Glycine 0 C--N 1.348 1.229 0 N-CA-C 115.334 0.894 . . . . 63.13 115.334 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.0 t -166.79 151.39 7.39 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 117.886 0.843 . . . . 75.51 110.655 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.467 HD11 HD13 ' A' ' 74' ' ' LEU . 4.9 mp -98.98 173.12 6.99 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.422 1.089 . . . . 75.24 109.482 173.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.51 80.02 1.06 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 122.974 1.369 . . . . 73.54 108.005 160.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -145.48 3.28 0.99 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.574 -2.103 . . . . 71.51 108.731 -169.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -64.14 89.11 0.06 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.752 1.221 . . . . 72.13 111.428 -169.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -147.77 170.86 16.67 Favored 'General case' 0 C--O 1.248 0.984 0 C-N-CA 124.401 1.08 . . . . 64.04 108.927 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -73.7 79.41 1.53 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.247 -1.39 . . . . 55.43 107.247 162.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -65.85 110.19 2.76 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.123 -1.398 . . . . 73.55 110.607 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 32.5 m80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 108.386 -0.968 . . . . 73.03 108.386 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.116 -0.698 . . . . 72.23 109.116 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.69 68.33 0.12 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 110.277 -1.129 . . . . 65.05 110.277 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -73.28 91.94 1.74 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.019 0.527 . . . . 74.15 109.905 177.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 48' ' ' MET . 15.4 t -90.45 116.84 32.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.057 -0.974 . . . . 72.53 108.784 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -121.56 113.07 37.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.787 -0.82 . . . . 73.21 108.787 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -88.08 135.5 33.39 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.421 -0.585 . . . . 74.43 109.421 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD13 HG13 ' A' ' 37' ' ' ILE . 43.7 tp -122.47 136.33 54.87 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.218 1.407 . . . . 74.11 108.132 174.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.8 t -155.49 144.3 20.57 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.934 -0.765 . . . . 72.43 108.934 167.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 -14.83 57.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.114 0.566 . . . . 62.04 110.724 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -108.06 142.69 37.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.6 0.76 . . . . 74.55 110.95 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 HE21 ' HG3' ' A' ' 15' ' ' GLU . 24.1 tp60 -68.68 -52.0 35.77 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.589 1.156 . . . . 64.2 112.771 -176.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.29 -34.16 68.39 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.636 0.774 . . . . 64.45 111.509 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 HD12 HG21 ' A' ' 104' ' ' VAL . 43.3 mm -63.18 -51.99 64.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 115.175 -0.921 . . . . 52.02 109.763 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -41.16 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.444 1.098 . . . . 75.11 111.024 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' HE21 ' A' ' 11' ' ' GLN . 46.1 mt-10 -66.76 -38.54 86.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.654 0.782 . . . . 63.33 112.116 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 63.1 mm-40 -73.65 -38.02 65.12 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.353 0.661 . . . . 74.41 112.044 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.31 -36.94 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.203 0.601 . . . . 74.13 110.58 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.3 t -68.42 -35.83 78.2 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.682 0.793 . . . . 61.44 110.383 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -68.09 -49.49 60.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.259 0.623 . . . . 64.45 109.773 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HE2' ' HG2' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -38.45 76.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.944 0.898 . . . . 62.24 111.211 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -57.55 12.5 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.115 -0.948 . . . . 63.3 109.971 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.12 -42.81 81.58 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 124.228 0.955 . . . . 74.4 111.771 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -58.01 -49.53 76.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.535 0.734 . . . . 73.31 111.669 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 38.0 mm-40 -80.97 -7.39 59.52 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.075 0.398 . . . . 74.0 112.075 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.25 43.96 7.76 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 122.808 0.242 . . . . 75.23 113.062 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.47 129.51 56.53 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 124.099 0.96 . . . . 64.43 109.572 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.15 74.61 1.78 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.665 -0.865 . . . . 74.41 108.665 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.42 134.45 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 115.33 -0.85 . . . . 65.31 109.81 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.559 ' HG2' HH22 ' A' ' 40' ' ' ARG . 20.8 tp60 -79.1 109.78 13.74 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 108.666 -0.864 . . . . 72.03 108.666 170.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.6 p -96.8 144.02 27.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.518 . . . . 75.24 109.918 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -148.3 149.38 31.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.054 0.941 . . . . 73.04 109.644 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' SER . 25.5 t-20 -103.41 -34.08 8.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.903 0.881 . . . . 72.15 110.75 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -83.97 112.72 20.43 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.187 0.595 . . . . 51.43 111.176 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 10.4 ptpp? -68.51 -34.32 75.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.146 0.979 . . . . 74.42 112.176 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -65.09 -38.21 90.0 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.381 0.672 . . . . 75.25 111.374 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.9 tt0 -59.19 -47.63 84.6 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.413 -0.812 . . . . 62.44 109.404 174.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.555 HD13 ' HD3' ' A' ' 40' ' ' ARG . 37.0 mm -64.75 -41.6 92.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 114.838 -1.074 . . . . 73.43 111.987 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 88.0 mt -55.37 -39.75 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.507 0.723 . . . . 55.31 109.994 175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.31 -32.91 63.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.524 -1.216 . . . . 52.22 111.692 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.559 HH22 ' HG2' ' A' ' 29' ' ' GLN . 47.5 mtp180 -73.11 -30.74 63.85 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.089 0.555 . . . . 74.34 110.396 177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -72.17 -31.26 65.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.223 -0.898 . . . . 75.14 110.575 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 93.2 mttt -59.12 -32.63 70.01 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 120.956 0.408 . . . . 35.4 111.066 171.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -84.16 -6.01 59.34 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.01 -0.995 . . . . 63.12 111.692 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 60.91 27.04 16.91 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.76 1.224 . . . . 72.32 110.514 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -79.94 -16.55 55.04 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.156 0.983 . . . . 75.12 112.002 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.425 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.8 mt -108.39 132.83 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.609 0.764 . . . . 64.51 109.841 -173.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 18.1 t70 -88.8 -41.49 12.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 121.713 0.768 . . . . 52.33 110.208 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 4' ' ' VAL . 8.0 ptp -145.62 136.25 24.28 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.731 -1.122 . . . . 64.44 108.825 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.425 ' HB ' HG21 ' A' ' 46' ' ' ILE . 3.8 tt -133.04 138.68 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 123.857 0.863 . . . . 73.31 109.017 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG21 HG22 ' A' ' 108' ' ' VAL . 57.8 mt -126.36 108.42 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 108.236 -1.024 . . . . 72.53 108.236 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 62' ' ' ILE . 60.7 t -101.01 135.29 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.662 0.785 . . . . 63.01 110.147 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 13' ' ' ILE . 46.3 tptt -124.79 106.01 9.72 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.79 -0.818 . . . . 55.34 108.79 172.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -170.02 162.12 8.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.339 1.456 . . . . 55.25 107.599 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.57 -8.3 21.11 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.06 0.544 . . . . 73.52 111.185 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -70.12 93.17 0.79 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 109.542 -0.54 . . . . 72.12 109.542 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' A' ' 82' ' ' ILE . 54.0 mtpt -57.08 -34.12 67.98 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.098 1.359 . . . . 73.23 112.865 -170.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.07 -44.95 75.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.925 -1.034 . . . . 74.42 110.943 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.427 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 93.3 p -73.06 -43.08 62.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.035 -0.529 . . . . 71.25 110.633 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.531 HG23 HD12 ' A' ' 75' ' ' ILE . 87.7 mt -50.05 -49.27 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.013 0.925 . . . . 51.43 110.349 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -50.17 -46.63 54.39 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.43 1.081 . . . . 72.41 111.281 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 30.0 mm-40 -66.63 -44.24 82.54 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.292 0.637 . . . . 72.03 111.499 -176.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.621 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.69 -55.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 O-C-N 123.66 0.6 . . . . 62.2 109.855 174.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.61 -42.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 124.12 0.887 . . . . 74.24 111.138 -175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -57.15 -43.93 82.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.495 0.718 . . . . 75.04 111.039 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.3 mm100 -65.46 -41.62 93.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.701 0.626 . . . . 65.12 110.79 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 71' ' ' ALA . 58.0 t -67.62 -39.38 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 63.32 111.343 -177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.343 0.657 . . . . 73.42 109.647 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.98 -41.45 96.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.885 -1.052 . . . . 71.12 110.407 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -75.83 -29.14 58.52 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 63.42 111.51 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.18 33.8 43.54 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 116.421 -0.354 . . . . 34.32 112.451 -173.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.9 172.16 7.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.706 0.802 . . . . 62.43 110.57 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' HZ ' ' A' ' 111' ' ' PHE . 3.6 mppt? -89.47 144.31 26.14 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.921 -0.77 . . . . 73.41 108.921 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.678 HG13 HG23 ' A' ' 93' ' ' VAL . 2.6 p -143.22 129.04 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.316 0.646 . . . . 63.25 110.831 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.3 tp -113.08 120.15 40.33 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.23 -1.026 . . . . 55.44 108.23 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.531 HD12 HG23 ' A' ' 59' ' ' ILE . 36.4 mm -99.64 121.34 50.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.16 -0.681 . . . . 74.31 109.16 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.97 119.48 36.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.318 1.047 . . . . 71.43 108.338 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -140.01 143.97 36.7 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.102 -1.073 . . . . 71.44 108.102 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.4 p -69.2 -35.16 75.93 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.764 0.425 . . . . 65.15 110.951 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -88.85 125.14 34.79 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 115.356 -0.838 . . . . 51.15 110.376 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.19 -21.38 62.16 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.159 0.984 . . . . 74.53 112.875 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -80.95 -30.24 35.26 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.645 0.378 . . . . 75.43 110.051 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.517 HG23 ' HG2' ' A' ' 56' ' ' LYS . 59.9 mt -62.27 -51.52 71.32 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 108.625 -0.88 . . . . 70.3 108.625 170.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.565 HG23 ' HB ' ' A' ' 95' ' ' THR . 34.7 mm -51.5 -45.82 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 124.314 1.009 . . . . 72.23 110.796 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.35 -46.83 88.53 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.264 0.625 . . . . 71.1 111.055 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.4 m -58.53 -39.53 80.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.2 0.6 . . . . 42.15 110.985 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.547 HG22 HG11 ' A' ' 93' ' ' VAL . 35.7 mm -68.73 -35.15 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.726 0.811 . . . . 74.43 111.307 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 59.1 mtm180 -69.7 -43.64 72.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.7 0.4 . . . . 74.43 111.511 178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -75.67 -34.35 60.46 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 116.536 -0.302 . . . . 74.45 111.363 -173.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.36 -50.84 50.33 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.069 0.548 . . . . 60.4 110.525 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.616 ' O ' HG12 ' A' ' 93' ' ' VAL . 50.6 m-85 -124.11 91.64 49.32 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 123.614 0.765 . . . . 75.42 109.15 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.75 -10.44 27.77 Favored 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 121.869 1.713 . . . . 71.14 113.764 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -85.19 -13.97 48.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.986 0.735 . . . . 74.12 112.986 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 73' ' ' VAL . 7.3 p -77.2 150.68 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.185 0.448 . . . . 71.43 110.363 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.49 131.11 37.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.369 -1.345 . . . . 63.21 107.369 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.565 ' HB ' HG23 ' A' ' 83' ' ' ILE . 28.2 p -129.56 151.32 50.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.239 0.616 . . . . 74.34 110.443 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.17 140.27 11.52 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.8 -0.815 . . . . 73.33 108.8 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.13 124.44 29.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.161 -1.052 . . . . 72.13 108.161 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.67 104.89 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.684 -1.228 . . . . 62.12 107.684 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -78.46 -61.46 2.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.047 0.451 . . . . 74.31 109.896 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.59 170.06 8.26 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.533 -0.758 . . . . 75.0 109.531 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -52.4 -27.2 14.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.369 1.867 . . . . 73.14 113.941 -174.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -78.86 -37.07 41.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.532 0.733 . . . . 71.52 111.844 -173.217 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.46 -29.71 69.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.822 0.449 . . . . 75.31 111.576 170.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HD12 ' A' ' 13' ' ' ILE . 39.8 t -68.54 -53.59 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 N-CA-C 109.78 -0.452 . . . . 73.34 109.78 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.51 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.1 pttt -65.36 -34.97 79.57 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.422 0.452 . . . . 74.04 111.116 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -52.88 -54.27 36.97 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.184 0.994 . . . . 72.53 111.378 168.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -62.38 -36.95 83.89 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.257 -0.883 . . . . 71.34 112.062 -175.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 50' ' ' ILE . 78.1 t -64.06 -52.0 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 O-C-N 124.144 0.903 . . . . 64.14 110.249 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.54 -48.41 72.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.076 0.95 . . . . 72.43 111.387 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.73 -44.41 90.46 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.707 1.203 . . . . 71.12 110.861 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 39.9 t80 -65.05 -41.83 94.81 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.222 1.009 . . . . 74.01 111.262 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 19.3 mt -75.43 -39.95 58.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.819 -0.628 . . . . 54.42 111.175 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.06 -25.03 62.46 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 74.32 111.407 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -90.21 -9.4 48.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.69 0.626 . . . . 72.43 112.69 172.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.09 21.44 65.92 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.211 0.319 . . . . 55.54 113.583 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 151.32 -116.91 0.79 Allowed Glycine 0 C--N 1.342 0.903 0 N-CA-C 110.784 -0.926 . . . . 75.54 110.784 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' A' ' 120' ' ' HIS . 17.3 m -56.19 120.86 8.23 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 124.433 1.093 . . . . 73.5 112.595 -173.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.53 -50.41 70.07 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.08 1.352 . . . . 64.25 112.743 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.92 17.38 17.97 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.981 1.312 . . . . 74.42 109.375 -178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 117' ' ' SER . 3.2 t60 58.73 53.17 6.09 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.456 1.503 . . . . 64.42 111.024 -171.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -48.55 126.37 11.5 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 107.832 -1.173 . . . . 74.03 107.832 160.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -49.38 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 O-C-N 125.005 1.441 . . . . 73.12 113.441 -160.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -125.75 133.67 52.0 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 106.073 -1.825 . . . . 72.01 106.073 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 149.72 30.43 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 124.051 0.845 . . . . 75.25 111.095 -174.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 CA--C 1.558 1.253 0 O-C-N 123.826 0.704 . . . . 71.13 109.476 175.54 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.302 -0.258 . . . . 75.54 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.44 33.27 84.26 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 123.359 0.412 . . . . 74.11 113.852 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -81.21 105.85 12.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.05 0.54 . . . . 72.1 110.617 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.415 HG11 HD21 ' A' ' 112' ' ' LEU . 16.1 t -96.47 123.49 48.76 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 N-CA-C 108.929 -0.767 . . . . 61.3 108.929 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 29' ' ' GLN . 69.7 t -123.5 118.37 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.843 -0.799 . . . . 72.15 108.843 174.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.2 t80 -96.36 120.92 37.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.21 0.604 . . . . 74.44 109.424 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 37' ' ' ILE . 55.0 tp -110.05 135.2 51.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.373 1.069 . . . . 74.35 108.929 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 58.5 m -154.33 146.87 24.08 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.561 0.744 . . . . 73.42 110.615 173.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.08 14.41 14.15 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.673 0.789 . . . . 62.41 111.043 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -142.81 130.09 20.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.413 0.685 . . . . 71.34 109.83 -172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -68.25 -43.1 78.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.588 0.755 . . . . 64.31 112.581 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -56.08 -36.69 68.38 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.461 0.704 . . . . 70.15 111.207 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 HG21 ' A' ' 104' ' ' VAL . 47.0 mm -67.7 -51.39 51.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-N 115.423 -0.808 . . . . 61.34 109.941 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.28 -43.07 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.452 1.101 . . . . 75.43 111.187 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.03 -41.93 70.19 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.419 0.688 . . . . 72.12 111.751 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 30.4 mm-40 -63.32 -43.67 97.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.322 0.649 . . . . 65.3 111.596 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 86.2 t -70.48 -40.74 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.775 -0.648 . . . . 63.41 110.822 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -58.32 -37.96 76.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.887 . . . . 73.23 110.482 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.2 -54.4 21.42 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 115.129 -0.941 . . . . 72.32 110.813 178.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -62.92 -40.38 97.42 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.564 0.54 . . . . 64.22 110.783 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.39 93.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.96 -1.018 . . . . 73.24 110.933 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.12 -48.01 83.51 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.779 0.675 . . . . 72.34 110.779 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.14 -43.67 74.38 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.915 0.886 . . . . 64.12 111.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -82.2 -17.24 46.87 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.863 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.88 15.53 65.15 Favored Glycine 0 C--N 1.344 1.011 0 CA-C-O 119.938 -0.368 . . . . 73.35 113.241 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.41 110.18 5.18 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 123.202 0.601 . . . . 74.13 110.611 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -69.8 92.91 0.71 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.528 0.731 . . . . 72.15 109.881 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 112' ' ' LEU . 29.6 mt -117.29 130.75 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.661 -0.496 . . . . 64.04 109.661 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.515 ' HB3' HG22 ' A' ' 5' ' ' VAL . 22.1 tp60 -88.07 113.35 23.62 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.662 -0.866 . . . . 72.13 108.662 170.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 6' ' ' PHE . 41.1 p -97.99 148.91 23.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 110.049 -0.352 . . . . 74.32 110.049 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.7 t -151.87 151.18 30.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.888 0.875 . . . . 72.14 110.384 -176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 8' ' ' SER . 26.8 t-20 -96.75 -49.39 5.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.004 0.922 . . . . 72.24 109.671 168.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.62 105.41 1.87 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.374 -1.285 . . . . 73.12 111.126 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HD3' ' HB2' ' A' ' 58' ' ' SER . 17.5 ptpt -71.94 -28.28 63.36 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.168 0.987 . . . . 74.12 113.461 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -67.41 -36.03 80.46 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.133 0.271 . . . . 73.1 111.123 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.9 tt0 -63.05 -45.33 92.72 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 109.794 -0.447 . . . . 65.51 109.794 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 7' ' ' LEU . 51.9 mm -66.51 -38.04 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.129 -0.941 . . . . 52.2 111.483 -172.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.585 HG23 ' HG3' ' A' ' 65' ' ' GLN . 88.3 mt -58.69 -39.67 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.918 0.887 . . . . 73.43 110.208 172.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 28.5 t70 -71.67 -30.66 65.96 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.356 -0.838 . . . . 34.43 110.956 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 29.7 mtp180 -70.82 -35.02 72.31 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.764 0.426 . . . . 63.31 110.075 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 66' ' ' VAL . 61.4 mt -67.1 -34.98 78.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.19 0.596 . . . . 70.11 110.596 174.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.569 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -61.49 -36.49 80.63 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.774 0.83 . . . . 72.42 111.149 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 84.7 mtt-85 -83.22 -5.59 59.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.65 0.78 . . . . 73.42 112.562 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 22.02 12.82 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.212 1.005 . . . . 75.24 110.545 -172.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.65 -20.22 63.59 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.565 1.546 . . . . 73.14 112.057 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.501 HG21 ' HB ' ' A' ' 49' ' ' ILE . 37.9 mt -113.3 131.61 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 123.85 0.86 . . . . 74.05 109.645 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -86.66 -39.82 15.71 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.675 0.79 . . . . 75.34 110.662 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.575 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 16.5 ptm -151.28 132.66 14.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.268 -0.878 . . . . 61.41 109.449 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.501 ' HB ' HG21 ' A' ' 46' ' ' ILE . 6.3 tt -131.74 141.09 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 123.999 0.92 . . . . 71.04 109.311 -172.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.493 HG21 HG22 ' A' ' 108' ' ' VAL . 67.4 mt -128.51 115.05 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 107.908 -1.145 . . . . 73.02 107.908 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.59 HG21 HG21 ' A' ' 62' ' ' ILE . 40.7 t -112.26 116.39 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.575 0.75 . . . . 63.52 110.543 -173.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 29.3 tptp -102.35 105.79 16.45 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.481 -0.933 . . . . 74.4 108.481 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.471 HG22 HG12 ' A' ' 51' ' ' VAL . 13.7 t -163.41 161.32 24.3 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.89 0.876 . . . . 74.54 108.994 175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -119.61 13.27 12.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.788 0.835 . . . . 72.24 110.057 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -95.69 101.49 13.19 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.928 -0.768 . . . . 75.0 108.928 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG2' HG23 ' A' ' 82' ' ' ILE . 45.8 mtmt -54.05 -43.86 70.58 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.278 1.031 . . . . 71.14 112.793 -174.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 29.9 mm-40 -60.96 -43.91 98.07 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.157 0.91 . . . . 74.15 111.231 -172.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.485 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 79.5 p -74.31 -41.92 60.35 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.638 0.586 . . . . 72.32 110.992 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.483 HG23 HD12 ' A' ' 75' ' ' ILE . 83.9 mt -49.56 -50.82 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.79 0.836 . . . . 64.43 110.212 176.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 t -54.66 -44.62 73.43 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 124.728 1.267 . . . . 71.44 110.868 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 22.2 mm-40 -61.38 -47.31 86.43 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 123.669 0.606 . . . . 72.44 111.135 -178.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.59 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -51.46 -55.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 124.073 0.858 . . . . 73.23 109.53 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 53.2 mt -58.46 -42.79 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 124.111 0.882 . . . . 74.03 111.11 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -56.25 -42.92 78.15 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.072 0.949 . . . . 54.42 111.022 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.585 ' HG3' HG23 ' A' ' 38' ' ' ILE . 9.7 mm100 -80.12 -27.49 39.14 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.267 -0.879 . . . . 70.31 111.596 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 89.1 t -72.65 -44.58 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.073 0.549 . . . . 71.25 110.227 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 94.5 mt -60.35 -42.58 96.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.565 0.746 . . . . 64.12 109.906 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.53 -31.41 68.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.31 -0.859 . . . . 71.42 110.574 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.8 t -75.08 -25.34 58.5 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.571 0.749 . . . . 74.04 110.817 174.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 34.06 64.84 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.239 -0.437 . . . . 62.24 112.579 -173.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -101.2 -179.01 3.91 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.144 0.978 . . . . 52.5 110.716 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.575 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 4.0 mppt? -95.14 146.64 24.16 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.189 0.596 . . . . 70.21 109.532 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 93' ' ' VAL . 3.5 p -143.84 132.69 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.048 0.939 . . . . 74.42 110.895 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.8 tp -119.39 113.93 21.56 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 124.33 1.052 . . . . 71.32 108.558 173.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 59' ' ' ILE . 42.9 mm -92.84 123.17 44.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 C-N-CA 123.705 0.802 . . . . 64.54 109.651 176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.31 120.46 37.71 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.915 1.286 . . . . 74.54 107.735 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 m -137.39 141.57 41.71 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.377 -0.971 . . . . 44.14 108.377 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -33.75 74.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.184 0.516 . . . . 72.11 111.176 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.69 124.04 33.14 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.337 -0.847 . . . . 70.23 110.847 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' A' ' 97' ' ' ARG . 29.7 tt0 -73.32 -24.77 60.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 114.973 -1.012 . . . . 70.14 112.367 -176.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -72.45 -32.5 66.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.321 -0.622 . . . . 74.0 109.321 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 86' ' ' ILE . 69.5 mt -68.46 -47.97 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.569 0.748 . . . . 74.15 109.374 174.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 28.1 mm -50.97 -45.86 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 O-C-N 124.023 0.827 . . . . 73.21 110.368 173.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -62.65 -45.66 91.8 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.741 0.816 . . . . 64.23 111.641 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.2 m -57.29 -42.05 80.98 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.967 0.507 . . . . 42.41 110.693 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 82' ' ' ILE . 38.9 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-N 114.999 -1.001 . . . . 75.45 110.902 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 47.7 mtm180 -72.01 -48.09 47.19 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.65 0.38 . . . . 71.42 111.804 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.1 -31.18 67.47 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.617 -0.265 . . . . 74.15 111.616 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -73.57 -53.41 10.59 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.729 -0.471 . . . . 73.22 109.729 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -120.02 104.11 44.42 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 123.336 0.654 . . . . 74.32 110.612 -172.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -71.33 -30.32 15.76 Favored 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.275 1.984 . . . . 72.14 113.285 169.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 5.32 11.09 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 113.93 1.085 . . . . 72.55 113.93 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.717 HG23 HG13 ' A' ' 73' ' ' VAL . 11.6 p -104.54 143.37 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.276 0.489 . . . . 74.23 110.845 174.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.56 129.75 34.79 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.553 -0.906 . . . . 71.33 108.553 166.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 20.0 p -128.63 145.59 51.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.576 0.751 . . . . 72.23 109.406 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -155.57 128.78 8.22 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.338 -0.986 . . . . 60.13 108.338 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HD2' ' HB2' ' A' ' 80' ' ' GLU . 70.7 ttt180 -67.29 126.52 29.49 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.11 -0.7 . . . . 73.23 109.11 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.566 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -137.52 108.28 6.64 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 107.868 -1.16 . . . . 74.23 107.868 -177.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.61 -40.57 6.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.959 0.904 . . . . 74.34 109.437 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m-20 -90.5 136.61 32.95 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.467 -1.242 . . . . 74.54 109.516 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -63.0 -27.55 69.5 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.573 0.749 . . . . 73.52 111.474 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.8 pt-20 -67.05 -40.89 87.22 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.619 0.768 . . . . 75.2 110.791 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.14 -26.11 64.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.173 0.589 . . . . 73.13 112.236 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 13' ' ' ILE . 60.1 t -72.35 -54.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 110.216 -0.29 . . . . 73.31 110.216 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.526 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 62.7 pttt -65.02 -30.14 71.1 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.285 0.366 . . . . 64.14 111.049 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 36.7 t70 -58.29 -57.33 13.38 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 123.918 0.762 . . . . 64.51 110.231 166.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.54 68.11 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.858 0.863 . . . . 75.25 112.468 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 50' ' ' ILE . 92.8 t -64.86 -54.41 30.16 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 O-C-N 124.338 1.024 . . . . 55.44 109.634 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.89 -35.48 76.76 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.876 0.735 . . . . 62.52 111.451 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 5.6 mm-40 -67.99 -43.75 78.2 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.497 0.719 . . . . 74.21 110.12 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.37 -31.11 72.19 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.794 0.838 . . . . 75.42 110.3 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 76.1 mt -78.21 -50.12 12.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.05 0.94 . . . . 63.23 111.628 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -65.99 -35.07 79.57 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.144 0.577 . . . . 71.21 112.166 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 117' ' ' SER . 17.8 mm-40 -82.09 2.41 31.4 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 111.66 0.245 . . . . 60.24 111.66 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.87 1.76 Allowed Glycine 0 C--N 1.351 1.391 0 O-C-N 123.514 0.509 . . . . 50.25 113.321 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.58 38.08 78.3 Favored Glycine 0 C--N 1.347 1.146 0 O-C-N 123.516 0.186 . . . . 71.14 113.004 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 75.5 p -167.32 150.29 6.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.715 0.806 . . . . 50.4 109.855 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.3 mt -81.15 -70.01 0.56 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.161 -0.681 . . . . 72.2 109.161 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 53.96 27.26 7.16 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.255 1.022 . . . . 70.22 112.363 -168.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -93.71 55.33 2.15 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.917 0.887 . . . . 75.53 109.738 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 22.7 m80 53.21 68.88 0.77 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 113.993 -1.458 . . . . 63.44 111.107 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -67.03 93.75 0.3 Allowed 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 122.409 1.1 . . . . 71.43 108.964 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -95.24 165.68 12.28 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 114.756 -1.111 . . . . 73.4 112.161 -166.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -82.84 143.69 30.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.317 -1.31 . . . . 74.24 108.406 171.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--O 1.244 0.795 0 N-CA-C 109.028 -0.731 . . . . 71.44 109.028 174.054 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.119 -0.697 . . . . 72.33 109.119 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.594 ' HA3' ' HB2' ' A' ' 47' ' ' ASP . . . 67.37 -95.82 0.32 Allowed Glycine 0 C--N 1.35 1.345 0 N-CA-C 110.561 -1.015 . . . . 70.04 110.561 -171.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 16.9 tppt? 173.51 131.14 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.409 1.484 . . . . 62.22 109.292 170.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -99.85 125.86 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 107.6 -1.259 . . . . 72.4 107.6 167.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 29' ' ' GLN . 74.6 t -120.74 121.99 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 109.251 -0.648 . . . . 73.04 109.251 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 30' ' ' THR . 74.7 t80 -94.9 106.43 18.42 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.57 -0.9 . . . . 73.11 108.57 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 HG13 ' A' ' 37' ' ' ILE . 59.5 tp -102.65 129.52 49.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.061 0.944 . . . . 73.32 108.901 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 66.9 m -148.68 157.19 43.28 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.665 . . . . 70.12 109.986 174.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.48 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 26.2 t0 -105.81 4.6 29.99 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.688 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.04 125.68 51.7 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.586 -0.697 . . . . 64.01 109.138 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.477 HE21 ' HG3' ' A' ' 15' ' ' GLU . 25.3 tp60 -65.02 -38.84 92.25 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.479 1.112 . . . . 74.03 112.94 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -62.75 -50.53 70.69 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.414 -0.587 . . . . 71.11 109.414 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 52' ' ' LYS . 50.3 mm -49.56 -51.11 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 114.32 -1.309 . . . . 75.53 111.658 172.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 30' ' ' THR . 85.4 mt -56.36 -48.69 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.71 0.804 . . . . 73.35 110.947 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' HG3' HE21 ' A' ' 11' ' ' GLN . 48.0 mt-10 -71.51 -34.77 70.4 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.346 0.658 . . . . 74.42 112.57 -174.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 101' ' ' LYS . 24.5 mm-40 -64.09 -47.02 81.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.439 0.696 . . . . 72.3 111.08 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 105' ' ' LYS . 61.5 t -77.22 -32.28 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 115.644 -0.707 . . . . 75.5 111.279 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -64.3 -46.02 85.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.718 0.807 . . . . 64.14 110.293 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.0 tppt? -62.86 -45.44 92.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.88 -1.055 . . . . 74.03 110.125 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 109' ' ' GLU . 56.1 tttp -57.99 -46.1 85.75 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.278 0.631 . . . . 74.15 111.846 176.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.92 72.54 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.588 0.755 . . . . 61.12 111.275 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.78 -47.37 53.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.53 0.732 . . . . 71.42 110.382 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 70.8 mm-40 -61.3 -45.89 92.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.518 0.727 . . . . 74.11 111.753 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -76.39 -21.48 55.99 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.085 -0.507 . . . . 74.02 111.795 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.57 67.84 Favored Glycine 0 C--N 1.343 0.931 0 O-C-N 123.522 0.514 . . . . 74.51 113.072 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.62 121.4 14.87 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.426 -0.583 . . . . 70.01 109.426 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.21 92.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.095 0.558 . . . . 64.02 109.659 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.44 HD11 HD11 ' A' ' 112' ' ' LEU . 31.8 mt -134.02 127.1 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.794 0.838 . . . . 73.2 110.271 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.1 tp60 -89.71 113.65 25.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 170.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 6' ' ' PHE . 38.8 p -97.14 130.88 44.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.285 -0.635 . . . . 73.14 109.285 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 t -152.13 160.06 43.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.883 0.473 . . . . 62.53 111.194 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -105.47 -46.89 4.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.209 1.004 . . . . 71.41 111.178 -178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -75.11 109.62 8.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.598 0.759 . . . . 72.42 110.327 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HB2' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -70.32 -21.63 62.9 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.825 0.676 . . . . 65.02 112.825 -178.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.8 -37.52 73.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.189 0.596 . . . . 74.32 111.978 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -71.62 -38.92 70.73 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.208 1.003 . . . . 75.43 110.162 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.412 HG13 HD13 ' A' ' 7' ' ' LEU . 44.9 mm -68.07 -36.17 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-N 115.246 -0.888 . . . . 75.33 110.669 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -58.24 -41.9 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.055 1.342 . . . . 61.33 110.452 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 32.2 t70 -63.32 -35.82 81.63 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.93 0.892 . . . . 65.22 111.294 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -76.83 -32.51 57.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.736 0.415 . . . . 62.21 110.787 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.32 -35.36 80.1 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.131 0.573 . . . . 62.21 110.768 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 58.3 mtpt -63.98 -30.85 71.9 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.798 0.839 . . . . 71.2 111.379 175.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -86.17 -5.74 59.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.558 0.743 . . . . 73.21 111.787 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 64.22 20.27 12.11 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.568 1.147 . . . . 75.44 110.334 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.38 -19.83 59.32 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.728 1.211 . . . . 55.02 111.193 -170.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 55.0 mt -105.25 124.4 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.158 0.983 . . . . 72.24 108.67 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.594 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 31.3 t70 -78.39 -42.33 30.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.28 0.632 . . . . 75.34 110.859 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.11 138.67 19.6 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.463 -0.79 . . . . 70.33 109.698 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -135.89 142.62 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.329 0.652 . . . . 65.42 109.81 -175.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.4 mt -124.01 109.11 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.072 0.949 . . . . 64.15 108.673 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 62' ' ' ILE . 41.3 t -104.35 121.81 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.534 1.133 . . . . 72.24 110.286 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 13' ' ' ILE . 43.7 tptt -115.68 106.82 14.33 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.305 1.042 . . . . 75.14 108.874 173.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.436 HG22 HG12 ' A' ' 51' ' ' VAL . 6.4 t -162.74 150.52 13.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.081 1.353 . . . . 73.14 108.495 176.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -13.29 31.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.221 0.608 . . . . 71.42 111.222 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.11 107.85 15.13 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.832 -0.803 . . . . 71.13 108.832 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 59' ' ' ILE . 61.1 pttt -60.12 -25.05 65.16 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.421 1.088 . . . . 74.13 113.131 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.37 -33.7 42.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.959 0.503 . . . . 73.42 110.003 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -70.95 -40.56 71.93 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.257 0.623 . . . . 63.31 109.432 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.553 HG23 HD12 ' A' ' 75' ' ' ILE . 88.8 mt -56.47 -51.74 61.22 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 C-N-CA 124.243 1.017 . . . . 71.02 110.211 171.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.6 t -54.74 -47.35 73.94 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.799 -1.546 . . . . 55.2 111.063 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 34.8 mm-40 -49.3 -52.74 25.71 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 124.428 1.08 . . . . 70.32 112.265 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 34' ' ' LYS . 1.8 mp -59.48 -47.62 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 123.74 0.65 . . . . 72.25 110.232 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 61.0 mt -62.49 -34.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 123.714 0.633 . . . . 74.14 110.914 -177.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' SER . 27.2 mtpp -61.45 -44.29 97.37 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.405 0.682 . . . . 75.43 109.929 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 6.7 mm100 -69.2 -28.6 66.53 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 115.306 -0.861 . . . . 51.04 110.882 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.16 -26.35 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.805 0.842 . . . . 55.04 110.985 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.2 mt -70.77 -36.42 73.07 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.888 -0.782 . . . . 75.22 108.888 173.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.57 -44.13 68.03 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 114.983 -1.008 . . . . 44.51 112.124 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -82.58 -55.52 4.41 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.092 0.472 . . . . 63.51 111.362 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.53 38.78 3.38 Favored Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.606 -0.725 . . . . 65.14 111.576 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.07 178.63 6.14 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.625 0.77 . . . . 71.2 110.488 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -87.57 144.1 26.87 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 108.252 -1.018 . . . . 44.31 108.252 166.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 93' ' ' VAL . 7.3 p -143.92 132.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 121.26 0.552 . . . . 73.43 110.237 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 118' ' ' LEU . 34.7 tp -113.23 136.31 52.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.253 -1.017 . . . . 74.54 108.253 173.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.553 HD12 HG23 ' A' ' 59' ' ' ILE . 36.9 mm -117.82 119.4 61.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 123.82 0.848 . . . . 74.52 109.266 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 93.4 mt -118.52 121.64 40.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.669 1.188 . . . . 74.5 108.022 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.3 t -143.76 147.35 34.04 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.168 -0.679 . . . . 43.1 109.168 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -67.82 -37.23 81.66 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.749 0.655 . . . . 74.32 110.106 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.54 109.59 10.4 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 115.092 -0.958 . . . . 61.44 110.077 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.49 -28.99 66.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.433 1.093 . . . . 74.34 110.683 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -71.25 -34.58 70.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.781 0.433 . . . . 72.1 110.018 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.494 ' O ' HG12 ' A' ' 86' ' ' ILE . 59.5 mt -74.03 -37.18 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 122.987 0.515 . . . . 73.34 110.396 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 26.4 mm -56.6 -44.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 109.673 -0.492 . . . . 63.04 109.673 171.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.655 0.782 . . . . 71.2 110.756 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.9 m -59.48 -45.06 92.74 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.994 0.809 . . . . 70.14 111.193 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 82' ' ' ILE . 35.9 mm -68.41 -31.64 52.18 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 115.519 -0.764 . . . . 72.45 110.914 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 48.2 mtm105 -75.63 -40.58 56.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.941 0.497 . . . . 73.34 112.121 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.2 ptmt -76.24 -29.05 57.38 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.6 0.36 . . . . 64.12 110.973 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -76.4 -54.85 6.16 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.542 -0.54 . . . . 74.31 109.542 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -112.91 101.46 53.24 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.259 1.024 . . . . 74.52 109.472 -173.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.5 -29.46 20.31 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.511 2.14 . . . . 74.04 113.825 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.74 -29.95 51.39 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.776 0.658 . . . . 50.2 112.776 -171.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 73' ' ' VAL . 9.4 p -68.24 133.06 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 122.733 0.413 . . . . 75.43 111.322 -172.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 124' ' ' HIS . 3.6 mp0 -73.03 135.95 44.97 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.109 -0.701 . . . . 61.43 109.109 168.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 75' ' ' ILE . 1.9 p -146.98 145.11 29.64 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.99 1.316 . . . . 71.33 108.497 -170.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -162.51 146.66 11.84 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 109.332 -0.618 . . . . 75.15 109.332 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -67.5 128.86 38.0 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.138 -0.69 . . . . 53.41 109.138 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -143.36 106.32 4.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.122 -1.436 . . . . 54.32 107.122 173.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -94.85 -56.86 2.62 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 108.921 -0.77 . . . . 60.41 108.921 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.89 155.74 18.52 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.58 -1.191 . . . . 64.03 108.763 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -58.21 -26.82 63.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.888 0.875 . . . . 63.34 112.673 -179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.55 -45.43 87.12 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 109.876 -0.416 . . . . 74.24 109.876 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.7 -36.14 80.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.068 0.947 . . . . 73.54 111.2 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 13' ' ' ILE . 46.8 t -70.15 -59.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 123.818 0.699 . . . . 64.11 110.597 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 17' ' ' VAL . 61.3 pttt -67.33 -32.84 74.07 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.427 0.454 . . . . 65.53 111.866 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.55 -51.63 66.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.916 0.886 . . . . 74.44 110.747 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.234 0.614 . . . . 73.31 111.881 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.528 ' HA ' HD13 ' A' ' 50' ' ' ILE . 69.2 t -64.42 -57.26 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 122.906 0.482 . . . . 75.2 109.8 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' HB2' ' HE3' ' A' ' 20' ' ' LYS . 27.3 tt0 -58.36 -37.39 75.12 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 123.973 0.796 . . . . 71.54 110.907 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -66.27 -39.2 89.26 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 114.774 -1.103 . . . . 64.13 110.52 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -72.64 -30.27 64.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.424 0.69 . . . . 64.25 110.545 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 4' ' ' VAL . 68.9 mt -71.55 -48.23 49.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.778 0.831 . . . . 54.21 110.886 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.65 -37.18 70.86 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.525 0.73 . . . . 64.44 111.895 -176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -86.07 -14.17 45.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.049 0.54 . . . . 64.22 111.751 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.27 -56.63 4.26 Favored Glycine 0 C--N 1.352 1.422 0 N-CA-C 112.323 -0.311 . . . . 25.4 112.323 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -156.41 52.49 0.42 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.707 -0.557 . . . . 60.52 111.707 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.7 m -159.32 158.89 33.24 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.273 1.029 . . . . 75.42 109.974 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 74' ' ' LEU . 45.0 mt -130.03 -62.31 0.95 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.407 0.683 . . . . 74.11 110.158 174.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 107.15 0.81 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.33 -1.305 . . . . 74.44 110.661 -176.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -72.13 82.03 0.98 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.589 0.756 . . . . 60.22 110.179 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -123.37 -68.31 0.88 Allowed 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.04 -1.467 . . . . 73.2 107.04 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -157.5 -48.38 0.07 Allowed 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.141 0.976 . . . . 60.13 110.528 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -137.8 -77.76 0.38 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.665 0.786 . . . . 71.51 109.793 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 94' ' ' GLU . 69.3 t60 -162.41 149.17 13.29 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.559 0.744 . . . . 73.24 110.263 -172.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 42.7 t60 . . . . . 0 C--O 1.249 1.07 0 N-CA-C 108.211 -1.033 . . . . 71.04 108.211 169.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.636 -0.505 . . . . 51.43 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.89 86.19 0.52 Allowed Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.762 -0.535 . . . . 64.31 111.762 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.61 108.66 1.4 Allowed 'General case' 0 C--O 1.242 0.695 0 CA-C-O 120.86 0.362 . . . . 63.55 110.693 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.2 t -94.48 122.11 45.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 114.6 -1.182 . . . . 74.14 108.206 167.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 37' ' ' ILE . 78.1 t -117.35 120.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.37 -0.604 . . . . 74.13 109.37 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -96.05 104.89 16.86 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.211 -0.663 . . . . 72.12 109.211 172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 55.2 tp -95.07 112.8 24.46 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.982 -0.747 . . . . 71.44 108.982 175.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -132.85 142.98 49.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.203 -0.666 . . . . 72.43 109.203 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.16 2.66 55.93 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.452 0.701 . . . . 74.13 110.054 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -128.39 130.14 47.24 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.748 0.819 . . . . 62.14 110.275 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.413 HE21 ' HG3' ' A' ' 15' ' ' GLU . 23.2 tp60 -67.21 -46.93 72.39 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.673 0.789 . . . . 73.42 112.418 -175.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -50.96 -37.5 44.95 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.762 0.825 . . . . 75.44 111.553 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 104' ' ' VAL . 47.9 mm -69.26 -52.0 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.388 -1.278 . . . . 73.42 110.56 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG23 ' HB ' ' A' ' 30' ' ' THR . 84.8 mt -57.91 -40.59 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.335 1.054 . . . . 75.13 111.781 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' HE21 ' A' ' 11' ' ' GLN . 44.0 mt-10 -62.29 -46.6 88.04 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.81 0.844 . . . . 72.14 111.005 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.648 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.2 mm-40 -65.78 -47.38 75.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.214 -0.903 . . . . 72.2 111.914 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 105' ' ' LYS . 70.9 t -64.97 -42.08 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.451 0.7 . . . . 53.51 111.169 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 -37.39 72.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.269 0.628 . . . . 53.14 111.764 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -72.78 -39.32 66.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.577 0.351 . . . . 75.21 110.999 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -64.15 -42.88 96.59 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.859 -0.61 . . . . 62.31 110.357 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.88 78.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.597 0.759 . . . . 75.51 110.82 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.5 -50.02 74.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.822 0.849 . . . . 71.03 110.39 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.9 -32.98 74.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.648 0.779 . . . . 72.54 112.626 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -92.67 -5.99 50.22 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.33 0.493 . . . . 72.14 112.33 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.89 67.65 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 114.022 0.369 . . . . 55.44 114.022 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -90.06 117.88 29.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.032 0.933 . . . . 73.42 110.964 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.84 94.74 8.8 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.697 -1.223 . . . . 63.54 107.697 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.93 129.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.724 -0.61 . . . . 61.01 109.56 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 5' ' ' VAL . 64.5 tp60 -75.51 105.79 6.72 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.215 -1.032 . . . . 64.54 108.215 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 14' ' ' ILE . 32.7 p -98.07 129.37 44.91 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.48 -0.933 . . . . 63.12 108.48 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.5 t -152.92 155.21 36.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.774 0.43 . . . . 75.04 110.998 -170.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -104.68 -13.6 15.88 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.352 1.061 . . . . 61.51 109.862 170.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 37' ' ' ILE . 6.3 m-20 -75.11 78.96 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.239 1.016 . . . . 74.25 110.929 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -33.93 73.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.336 0.654 . . . . 72.53 111.362 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 123.332 0.653 . . . . 75.35 110.337 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 29.5 tt0 -65.94 -49.06 69.25 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 116.103 -0.498 . . . . 75.1 110.017 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 5' ' ' VAL . 35.8 mm -62.84 -38.55 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 123.68 0.792 . . . . 75.14 111.484 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.629 HG23 ' HG3' ' A' ' 65' ' ' GLN . 43.2 mt -55.58 -44.17 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.826 0.85 . . . . 73.21 110.537 171.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 28.2 t70 -71.37 -29.68 65.25 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.544 -176.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.36 -29.77 59.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.991 0.516 . . . . 74.23 110.274 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.84 -41.52 97.81 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.192 0.597 . . . . 72.31 109.736 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' A' ' 38' ' ' ILE . 67.6 mttm -59.54 -37.77 79.27 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.352 0.661 . . . . 74.14 111.105 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.7 mtt180 -80.9 -8.23 59.68 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.45 0.7 . . . . 75.35 112.851 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 69' ' ' SER . 10.1 mmm180 65.96 17.52 10.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.505 0.722 . . . . 65.21 111.921 -174.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -21.62 61.54 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.152 0.981 . . . . 73.1 111.872 -178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 49' ' ' ILE . 49.4 mt -105.14 126.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.45 0.7 . . . . 41.41 109.752 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -83.71 -46.73 11.95 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.282 0.563 . . . . 61.42 109.906 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 ptm -144.23 140.02 29.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.322 -0.854 . . . . 74.3 109.497 -175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.5 tt -138.58 140.24 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.917 0.887 . . . . 64.15 109.809 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.497 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -127.63 117.4 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.1 -1.074 . . . . 72.35 108.1 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 49.1 t -109.31 124.77 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.29 0.636 . . . . 75.02 110.644 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HG2' HG21 ' A' ' 13' ' ' ILE . 27.7 tptp -116.33 107.62 15.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.344 0.658 . . . . 73.4 109.4 172.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 59' ' ' ILE . 10.0 t -165.33 152.47 10.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.219 1.008 . . . . 74.1 108.626 174.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.54 2.59 56.36 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.026 0.53 . . . . 52.14 110.888 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -86.22 89.55 7.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.63 -0.878 . . . . 74.35 108.63 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HB3' HG23 ' A' ' 82' ' ' ILE . 21.4 pttm -62.35 -26.8 68.65 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.954 0.902 . . . . 72.43 112.373 -173.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.32 -49.04 68.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.038 0.535 . . . . 64.3 110.345 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -67.12 -40.2 86.78 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.609 0.568 . . . . 73.0 110.183 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.567 HG23 HD12 ' A' ' 75' ' ' ILE . 81.1 mt -52.01 -52.83 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 124.191 0.932 . . . . 74.15 110.317 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.6 t -59.53 -31.08 69.07 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.153 -0.93 . . . . 74.33 111.78 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -70.38 -43.85 69.25 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.839 0.455 . . . . 71.44 110.894 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -56.2 -47.92 80.12 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 N-CA-C 109.515 -0.55 . . . . 74.31 109.515 174.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 63.1 mt -61.01 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 123.719 0.637 . . . . 63.14 111.181 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 60' ' ' SER . 61.8 mttp -55.62 -44.36 76.99 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.939 0.496 . . . . 72.42 110.422 174.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.2 mm100 -73.06 -25.29 60.86 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.048 -0.978 . . . . 62.54 112.687 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG11 ' HB ' ' A' ' 73' ' ' VAL . 76.0 t -75.92 -34.06 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.095 0.558 . . . . 53.15 110.624 174.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 79.3 mt -71.31 -38.65 71.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.339 -0.615 . . . . 73.0 109.339 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.63 -39.77 94.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.412 1.085 . . . . 73.41 111.439 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.483 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . 77.6 p -82.41 -32.51 29.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.995 0.518 . . . . 63.2 111.388 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.23 37.87 35.85 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 115.77 -0.65 . . . . 64.51 112.129 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.506 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -88.03 174.5 8.24 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.648 0.779 . . . . 71.53 110.934 177.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 132.85 43.51 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.919 -1.141 . . . . 72.24 107.919 175.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' HG11 ' A' ' 66' ' ' VAL . 9.8 p -133.81 137.84 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-O 121.492 0.663 . . . . 73.41 112.572 -175.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.497 ' HB3' HG12 ' A' ' 50' ' ' ILE . 58.2 tp -120.72 126.12 49.37 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.727 1.211 . . . . 63.43 108.03 171.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.657 ' HB ' HG22 ' A' ' 95' ' ' THR . 41.1 mm -109.47 127.16 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.559 -0.534 . . . . 73.54 109.559 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -126.31 133.23 51.45 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.555 1.142 . . . . 72.4 108.169 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.2 p -150.6 156.94 42.36 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.883 0.473 . . . . 71.23 109.867 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -82.26 13.58 3.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.93 0.892 . . . . 71.11 112.646 -176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.508 ' HB3' HD12 ' A' ' 82' ' ' ILE . 21.6 t70 -139.12 128.96 24.86 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 123.235 0.614 . . . . 72.02 110.214 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.66 -33.17 75.27 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.613 1.165 . . . . 75.05 112.777 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -74.05 -31.43 62.87 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.55 0.34 . . . . 70.55 110.209 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 56' ' ' LYS . 88.1 mt -66.06 -48.01 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 109.405 -0.591 . . . . 74.12 109.405 173.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mm -55.1 -41.34 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.017 0.527 . . . . 74.13 110.781 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.17 -48.73 72.47 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.078 0.551 . . . . 74.41 111.449 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.437 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 51.7 p -61.12 -38.74 87.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.843 0.457 . . . . 65.45 111.108 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.485 HG22 HG11 ' A' ' 93' ' ' VAL . 22.9 mm -65.88 -37.77 80.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.35 -0.841 . . . . 75.05 110.918 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -78.98 -25.97 43.39 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.283 0.846 . . . . 73.44 113.283 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.9 pttt -94.16 -20.27 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.381 0.992 . . . . 63.23 111.341 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.19 -52.4 16.69 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.006 -0.738 . . . . 63.31 109.006 163.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 93' ' ' VAL . 51.5 m-85 -120.11 96.37 49.27 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.122 -0.945 . . . . 71.42 108.721 -176.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.13 -17.47 40.39 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.464 2.109 . . . . 63.33 113.819 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -100.68 4.65 43.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.281 0.845 . . . . 73.0 113.281 -174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 90' ' ' TYR . 13.4 p -79.75 139.74 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 118.212 0.46 . . . . 71.15 109.929 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 117' ' ' SER . 32.7 mm-40 -86.29 129.87 34.71 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.348 -0.982 . . . . 74.34 108.348 171.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.657 HG22 ' HB ' ' A' ' 75' ' ' ILE . 46.5 p -137.01 169.1 18.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.002 0.521 . . . . 52.23 110.284 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 52.7 ttt85 -159.23 133.76 7.88 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.959 -1.126 . . . . 71.02 107.959 165.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.73 122.52 18.26 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.413 -0.958 . . . . 73.1 108.413 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.12 103.41 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.673 -1.232 . . . . 50.41 107.673 -176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.22 -50.54 7.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.458 -0.792 . . . . 72.53 110.0 -176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -93.62 152.57 18.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.453 -0.794 . . . . 71.41 109.754 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -59.3 -27.27 65.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.607 1.563 . . . . 62.44 113.295 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.28 -45.25 81.13 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.861 0.465 . . . . 65.2 110.739 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.86 -34.18 75.53 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.31 0.644 . . . . 74.24 111.022 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.637 HG21 HD12 ' A' ' 13' ' ' ILE . 46.1 t -66.31 -54.65 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.316 -0.856 . . . . 61.21 110.501 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 66.1 pttt -61.73 -37.21 83.37 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.684 0.615 . . . . 72.44 111.358 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.19 -41.81 89.73 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.798 0.439 . . . . 74.33 111.613 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.464 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -64.02 -34.37 77.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.16 0.584 . . . . 53.33 110.774 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 59.3 t -61.29 -57.17 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.003 0.921 . . . . 74.12 109.761 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.17 -35.8 72.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.659 0.599 . . . . 75.54 111.045 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.71 -48.24 80.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.81 0.844 . . . . 70.33 110.085 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 74' ' ' LEU . 43.6 t80 -64.51 -33.17 75.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.418 1.087 . . . . 54.23 110.731 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 85.1 mt -77.51 -42.91 33.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.516 0.726 . . . . 75.22 112.299 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.9 -22.85 52.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.844 0.458 . . . . 51.23 112.015 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -83.4 -19.19 36.46 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.329 -0.396 . . . . 72.04 110.532 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.83 41.28 93.64 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.644 0.59 . . . . 53.24 112.453 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.91 -127.54 3.6 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 109.575 -1.41 . . . . 71.42 109.575 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.556 ' HA ' ' HG3' ' A' ' 94' ' ' GLU . 20.2 m -54.46 136.39 44.39 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.236 1.014 . . . . 75.42 113.668 -172.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.56 -56.64 14.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.462 -0.94 . . . . 75.32 108.462 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -103.87 110.3 22.36 Favored 'General case' 0 C--N 1.346 0.419 0 N-CA-C 107.339 -1.356 . . . . 75.24 107.339 166.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -65.73 -30.63 71.32 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.511 0.724 . . . . 75.52 109.929 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -105.47 84.63 2.12 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 107.71 -1.219 . . . . 61.21 107.71 163.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -68.33 86.23 0.28 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.962 0.905 . . . . 62.54 109.873 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -159.74 117.45 2.67 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.628 -1.249 . . . . 75.32 107.628 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -150.49 121.96 7.93 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.673 0.789 . . . . 73.04 109.136 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 108.911 -0.774 . . . . 74.42 108.911 177.077 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptm . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 111.803 0.298 . . . . 75.44 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.57 26.04 4.08 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-O 119.808 -0.44 . . . . 65.31 112.184 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.88 105.58 2.02 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 117.126 0.463 . . . . 75.24 110.242 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.59 126.73 45.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 C-N-CA 123.867 0.867 . . . . 72.22 108.713 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 29' ' ' GLN . 78.9 t -129.26 120.08 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.677 -0.861 . . . . 74.04 108.677 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -94.26 126.22 39.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.503 -0.554 . . . . 73.12 109.503 174.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.405 HD13 HG13 ' A' ' 37' ' ' ILE . 56.2 tp -113.44 135.72 53.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.554 -1.276 . . . . 71.11 107.554 174.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 t -150.47 155.22 39.11 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.855 -0.424 . . . . 52.14 109.855 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -90.15 -30.37 17.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.369 -0.832 . . . . 73.2 109.468 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.37 124.31 33.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.743 -0.662 . . . . 73.22 109.738 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.77 -38.97 92.69 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.691 0.619 . . . . 73.11 110.952 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -56.02 -39.65 72.25 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.966 0.906 . . . . 73.31 110.57 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 52' ' ' LYS . 45.1 mm -73.95 -44.73 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.208 -1.36 . . . . 62.41 110.551 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 30' ' ' THR . 83.3 mt -54.05 -44.65 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.971 0.908 . . . . 71.15 110.56 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.82 -46.3 85.75 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.152 0.981 . . . . 65.45 112.027 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 27.6 mm-40 -71.32 -36.84 71.74 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.568 0.747 . . . . 72.33 112.678 -176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -71.62 -39.23 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.889 -0.412 . . . . 71.32 109.889 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -64.99 -35.49 81.35 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.281 0.632 . . . . 71.14 110.56 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -64.97 -58.43 6.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.691 0.796 . . . . 62.54 109.742 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' HD2' ' A' ' 105' ' ' LYS . 23.6 tptm -56.69 -44.13 81.19 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.464 1.105 . . . . 72.24 111.382 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -53.88 53.33 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 114.906 -1.043 . . . . 73.41 111.172 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.43 -35.7 81.72 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.31 0.644 . . . . 71.43 111.628 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -59.35 -43.66 92.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.12 0.568 . . . . 73.4 111.26 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.23 1.91 56.75 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.978 0.733 . . . . 75.21 112.978 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.28 28.93 63.02 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 113.822 0.289 . . . . 65.13 113.822 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -90.45 114.3 26.42 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.836 0.854 . . . . 74.54 110.937 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.2 95.72 1.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.768 -0.827 . . . . 63.12 108.768 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 112' ' ' LEU . 43.5 mt -125.31 116.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.254 -0.647 . . . . 41.41 109.254 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 5' ' ' VAL . 24.9 tp60 -76.99 111.8 12.94 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.225 -0.657 . . . . 74.24 109.225 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 14' ' ' ILE . 10.5 p -96.57 130.27 43.8 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.543 0.737 . . . . 64.41 109.425 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -147.59 160.99 42.03 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.44 0.696 . . . . 73.31 110.738 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -116.24 -25.05 7.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.64 1.176 . . . . 72.3 109.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -81.26 91.04 6.15 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 121.162 0.506 . . . . 72.31 110.155 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.11 -33.48 75.86 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.392 1.077 . . . . 64.02 112.46 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -72.0 -30.08 64.87 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.08 0.552 . . . . 74.14 111.421 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.1 tt0 -61.96 -49.16 77.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.291 -0.633 . . . . 75.44 109.291 169.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.405 HG13 HD13 ' A' ' 7' ' ' LEU . 50.8 mm -61.26 -39.99 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 114.729 -1.123 . . . . 74.55 111.565 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 65' ' ' GLN . 89.2 mt -57.82 -45.57 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.257 1.023 . . . . 62.41 110.602 174.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.43 -36.87 83.76 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.788 -1.096 . . . . 74.33 111.485 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 41.5 mtp180 -75.05 -31.7 61.36 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.192 0.597 . . . . 73.44 111.054 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD23 ' HB ' ' A' ' 46' ' ' ILE . 88.0 mt -64.23 -35.57 81.25 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.303 0.641 . . . . 70.1 110.452 173.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.35 -34.09 76.0 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.506 0.722 . . . . 73.51 111.396 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -85.32 -1.16 56.67 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 75.31 112.32 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 62.84 22.14 13.23 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 124.101 0.96 . . . . 73.44 110.567 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -75.29 -20.87 58.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.976 1.31 . . . . 74.31 110.967 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.435 ' HB ' HD23 ' A' ' 41' ' ' LEU . 35.4 mt -117.12 128.55 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.061 0.944 . . . . 70.21 109.464 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -90.02 -36.68 14.79 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.843 0.857 . . . . 72.34 110.476 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 ptm -150.79 136.67 18.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.673 -1.149 . . . . 73.44 109.417 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 5.9 tt -134.49 144.39 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.79 0.836 . . . . 74.52 109.634 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.507 HD12 HG13 ' A' ' 108' ' ' VAL . 62.9 mt -130.55 123.55 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.088 -1.078 . . . . 72.33 108.088 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 62' ' ' ILE . 40.0 t -118.62 119.64 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.383 0.673 . . . . 74.23 110.453 -171.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.4 tptp -103.91 106.93 17.59 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 73.44 108.922 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 51' ' ' VAL . 11.6 t -167.62 150.08 5.85 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.935 . . . . 72.24 109.062 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -97.78 -0.52 45.11 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.774 0.83 . . . . 60.25 110.34 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -74.58 94.74 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 174.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 82' ' ' ILE . 46.3 mtmt -55.04 -34.25 63.36 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.796 1.238 . . . . 75.31 112.58 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 42.8 mt-10 -74.53 -33.99 62.89 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.102 0.961 . . . . 73.24 110.984 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -67.26 -51.02 58.14 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.645 -0.502 . . . . 71.24 109.645 172.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.3 mt -50.91 -46.21 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 124.546 1.154 . . . . 73.35 110.142 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.9 t -53.15 -52.59 58.25 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.023 -1.444 . . . . 71.3 111.785 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 22.4 mm-40 -65.61 -44.48 86.4 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.367 0.667 . . . . 75.34 111.816 -174.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.519 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.48 -49.6 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 O-C-N 123.695 0.622 . . . . 71.15 110.173 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 75' ' ' ILE . 76.7 mt -60.25 -41.29 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 75.14 111.095 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -56.64 -42.07 78.26 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.198 0.599 . . . . 73.33 110.835 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HG3' HG23 ' A' ' 38' ' ' ILE . 15.4 mm100 -68.09 -34.38 76.3 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.406 -0.815 . . . . 73.2 111.506 177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 71' ' ' ALA . 94.6 t -76.46 -28.81 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.514 0.725 . . . . 74.54 111.149 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -71.18 -41.32 70.5 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.75 -0.833 . . . . 61.53 108.75 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.25 -43.53 97.76 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 72.12 110.976 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -85.71 -21.9 28.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.263 0.625 . . . . 62.21 112.073 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 33.72 75.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 123.352 0.407 . . . . 54.25 112.144 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -86.86 -178.88 6.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.543 0.737 . . . . 63.21 111.026 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.33 141.98 29.76 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.735 -0.839 . . . . 73.3 108.735 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.779 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.07 137.34 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-O 121.054 0.454 . . . . 61.45 110.745 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.8 tp -121.45 115.94 23.8 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.354 -0.98 . . . . 73.43 108.354 172.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.552 HG13 HD11 ' A' ' 63' ' ' ILE . 37.7 mm -93.93 123.5 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.251 -0.648 . . . . 73.24 109.251 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 93.7 mt -118.93 120.54 37.58 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.728 -1.212 . . . . 65.34 107.728 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -137.29 141.77 41.93 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.937 -1.134 . . . . 51.22 107.937 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -67.98 -37.99 82.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.727 0.642 . . . . 71.12 110.342 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 18.9 t70 -83.18 118.33 23.53 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.283 -0.871 . . . . 74.02 109.457 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.44 -24.37 62.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.998 -1.001 . . . . 72.2 111.883 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -72.67 -32.73 66.04 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.163 -0.68 . . . . 73.15 109.163 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.558 HG23 ' HG2' ' A' ' 56' ' ' LYS . 68.1 mt -65.87 -49.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 115.406 -0.815 . . . . 62.3 109.111 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' HB ' ' A' ' 95' ' ' THR . 27.0 mm -52.43 -44.56 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 123.537 0.523 . . . . 73.3 111.321 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -69.82 -34.57 73.85 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.41 0.684 . . . . 70.23 111.403 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -68.91 -36.72 78.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.237 0.615 . . . . 73.22 110.09 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 82' ' ' ILE . 45.4 mm -69.97 -28.18 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 C-N-CA 123.044 0.538 . . . . 71.02 110.246 177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -71.01 -44.03 66.71 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.539 0.335 . . . . 63.32 111.843 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.11 82.78 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 120.459 0.171 . . . . 72.52 111.056 -178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.37 -39.3 65.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.337 0.655 . . . . 75.22 111.135 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -135.69 94.69 14.73 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 123.722 0.809 . . . . 73.34 109.4 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.18 -22.37 19.22 Favored 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 122.206 1.937 . . . . 74.14 112.814 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -68.49 -31.76 71.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.991 0.917 . . . . 64.44 113.036 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.779 HG23 HG13 ' A' ' 73' ' ' VAL . 7.6 p -77.87 137.96 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 122.799 0.44 . . . . 65.23 111.653 -173.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.55 116.03 12.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.042 -0.725 . . . . 72.53 109.042 165.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 83' ' ' ILE . 23.0 p -117.7 153.02 34.07 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 123.791 0.837 . . . . 62.4 109.284 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.467 ' HD2' HD13 ' A' ' 118' ' ' LEU . 53.8 ttt180 -162.28 135.07 5.87 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.292 0.637 . . . . 62.13 109.563 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.4 126.08 28.48 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.949 -0.76 . . . . 75.41 108.949 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.63 106.41 4.47 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 107.972 -1.121 . . . . 65.32 107.972 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.39 -52.11 3.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.742 0.817 . . . . 75.22 109.809 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -89.04 151.43 22.26 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.384 -1.28 . . . . 71.44 109.33 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -50.63 -33.94 24.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.491 1.516 . . . . 63.22 112.718 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.555 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 6.2 pt-20 -69.61 -43.11 73.39 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.619 0.574 . . . . 74.24 110.841 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.51 -35.92 80.91 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.779 0.674 . . . . 75.1 111.162 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 13' ' ' ILE . 38.8 t -71.78 -57.86 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 123.635 0.584 . . . . 63.02 110.484 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 63.6 pttt -64.28 -34.17 77.51 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.503 0.557 . . . . 74.14 112.503 -172.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 1.9 m-20 -72.69 -37.78 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.212 0.605 . . . . 73.54 111.367 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.19 83.29 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.79 0.436 . . . . 64.43 110.626 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 50' ' ' ILE . 76.2 t -60.87 -51.22 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 114.866 -1.061 . . . . 64.33 109.602 175.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 35.7 tt0 -58.85 -39.77 82.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.084 -0.962 . . . . 74.22 112.155 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.0 mt-10 -71.53 -35.43 70.69 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.913 0.885 . . . . 74.33 111.355 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 117' ' ' SER . 24.4 t80 -67.33 -26.05 66.31 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.907 -1.042 . . . . 55.12 109.81 176.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.5 HD11 HD11 ' A' ' 28' ' ' ILE . 65.9 mt -82.63 -36.35 26.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.472 1.109 . . . . 62.22 112.012 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.7 mttm -59.93 -46.99 87.62 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.53 0.732 . . . . 75.21 111.417 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.13 -22.03 23.06 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.888 -0.596 . . . . 71.24 110.166 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.73 56.66 9.11 Favored Glycine 0 C--N 1.354 1.582 0 O-C-N 123.61 0.569 . . . . 73.03 113.699 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.53 -4.83 6.65 Favored Glycine 0 N--CA 1.474 1.202 0 CA-C-O 120.322 -0.154 . . . . 72.21 113.422 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 59.3 m -142.75 168.11 20.49 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.133 0.973 . . . . 73.33 109.355 174.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 96' ' ' ARG . 32.0 mt -95.62 166.34 11.89 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.222 1.009 . . . . 63.01 109.047 172.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.87 -52.28 66.41 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.304 0.642 . . . . 62.53 110.784 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -75.77 152.81 37.29 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.457 -0.942 . . . . 74.33 108.457 164.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.1 m170 74.46 39.92 0.44 Allowed 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.36 -1.348 . . . . 75.44 107.36 -160.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -60.13 107.44 0.64 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.027 -1.442 . . . . 62.14 111.606 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.1 t60 53.74 45.27 28.28 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.555 1.142 . . . . 54.13 110.535 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -72.05 -11.02 60.56 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 116.046 -0.524 . . . . 54.45 111.702 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 . . . . . 0 C--O 1.249 1.033 0 N-CA-C 107.259 -1.386 . . . . 73.44 107.259 167.074 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.937 -0.394 . . . . 71.33 109.937 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.83 10.97 60.92 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 119.934 -0.37 . . . . 63.04 112.251 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -68.86 104.99 2.2 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.968 0.507 . . . . 74.31 110.82 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 112' ' ' LEU . 12.0 t -89.12 126.24 42.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 124.773 1.295 . . . . 51.45 109.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 29' ' ' GLN . 84.3 t -130.37 119.39 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.736 -0.839 . . . . 75.25 108.736 172.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.574 ' HB3' HG22 ' A' ' 30' ' ' THR . 88.2 t80 -95.1 145.88 24.68 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.384 -0.599 . . . . 74.55 109.384 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -136.54 135.24 38.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.11 . . . . 74.43 108.899 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.6 t -158.55 159.23 35.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.527 0.731 . . . . 73.05 109.404 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.84 -17.47 24.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.471 0.709 . . . . 63.31 110.701 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.02 130.43 54.65 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.241 0.617 . . . . 75.33 110.078 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -77.41 -30.62 53.61 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 112.603 0.594 . . . . 71.04 112.603 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.75 -32.47 67.49 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-O 121.176 0.512 . . . . 74.33 110.197 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.479 HD13 ' HB3' ' A' ' 101' ' ' LYS . 46.9 mm -71.63 -49.62 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 114.981 -1.009 . . . . 64.34 109.917 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.28 -39.92 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 52.03 111.779 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.26 -36.33 82.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.201 0.6 . . . . 72.4 111.534 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 58.8 mm-40 -70.6 -40.5 73.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.098 0.559 . . . . 65.54 111.477 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 108' ' ' VAL . 71.4 t -68.69 -40.62 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.308 0.38 . . . . 52.44 110.743 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.1 t -69.17 -34.66 75.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.227 0.611 . . . . 74.41 110.867 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -73.1 -43.99 61.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.165 0.586 . . . . 74.13 110.117 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -54.96 -52.12 64.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.678 0.791 . . . . 73.33 109.918 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.98 85.97 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.775 -1.102 . . . . 71.11 111.25 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.49 -53.14 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.437 0.695 . . . . 61.13 111.206 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.1 -35.87 82.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.05 -0.523 . . . . 51.44 111.233 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 24.6 mm-40 -83.43 -14.54 52.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.214 0.45 . . . . 70.3 112.214 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 12.89 70.87 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 119.895 -0.392 . . . . 63.53 113.859 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -79.17 122.75 26.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.112 0.565 . . . . 73.03 110.414 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.21 106.53 15.07 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 108.854 -0.795 . . . . 74.2 108.854 170.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 112' ' ' LEU . 46.7 mt -120.8 131.66 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.255 -1.017 . . . . 62.31 108.255 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 5' ' ' VAL . 27.9 tp60 -86.19 109.21 18.74 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.59 -0.893 . . . . 72.21 108.59 173.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.2 p -97.99 146.69 25.25 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.931 -0.396 . . . . 71.33 109.931 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -145.65 151.29 37.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.353 0.661 . . . . 74.35 111.194 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -97.75 -28.73 13.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.511 0.724 . . . . 64.01 111.27 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -100.5 116.13 31.73 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.961 0.504 . . . . 73.15 110.727 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -29.23 67.8 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.844 0.858 . . . . 64.53 111.903 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.19 -37.41 80.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.537 0.735 . . . . 71.1 111.32 -172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 27.0 tt0 -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.173 -1.376 . . . . 71.02 109.572 172.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 7' ' ' LEU . 44.2 mm -67.94 -39.47 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 114.522 -1.217 . . . . 63.44 111.741 -175.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.646 HG23 ' HG3' ' A' ' 65' ' ' GLN . 96.1 mt -59.09 -42.37 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.429 1.092 . . . . 72.24 109.421 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 29.1 t70 -64.67 -40.87 96.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.511 -1.222 . . . . 71.34 111.045 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 72.7 mtp180 -70.83 -30.14 66.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.464 0.306 . . . . 73.33 111.562 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.25 -33.94 74.02 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.608 0.763 . . . . 74.43 110.49 174.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 38' ' ' ILE . 95.8 mttt -62.91 -40.7 98.4 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.229 0.612 . . . . 60.21 110.231 171.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 57.8 mtt180 -77.6 -2.41 35.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.696 0.799 . . . . 74.12 111.61 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 69.26 13.88 8.57 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.976 1.311 . . . . 74.11 111.607 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -25.77 66.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.734 1.214 . . . . 73.25 113.07 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.502 HG21 ' HB ' ' A' ' 49' ' ' ILE . 26.6 mt -107.74 130.83 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 109.973 -0.38 . . . . 72.24 109.973 -171.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.71 -38.77 9.37 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.143 0.496 . . . . 72.24 110.888 -177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.8 ptm -143.9 124.47 14.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.811 -1.181 . . . . 74.0 107.811 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.502 ' HB ' HG21 ' A' ' 46' ' ' ILE . 7.7 tt -130.15 144.49 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.894 0.878 . . . . 70.11 109.368 -171.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.521 HG21 HG22 ' A' ' 108' ' ' VAL . 63.2 mt -128.98 115.73 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.491 -1.3 . . . . 74.52 107.491 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 62' ' ' ILE . 70.6 t -112.72 119.46 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.187 0.595 . . . . 73.2 109.523 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -105.79 107.93 19.18 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.23 1.012 . . . . 65.1 108.455 172.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -161.99 152.56 17.39 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.843 0.857 . . . . 73.5 108.927 174.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.73 -11.02 25.61 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.607 0.763 . . . . 70.23 110.161 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.45 105.86 8.85 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.867 -0.606 . . . . 74.53 109.485 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' HG12 ' A' ' 82' ' ' ILE . 94.4 mttt -53.28 -38.23 62.9 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.765 1.226 . . . . 74.32 112.892 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 13.2 mm-40 -64.18 -48.51 75.66 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 109.254 -0.647 . . . . 65.34 109.254 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.9 m -62.17 -44.97 95.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.723 0.809 . . . . 74.03 110.903 -176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.528 HG23 HD12 ' A' ' 75' ' ' ILE . 98.9 mt -53.19 -56.95 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.08 -0.964 . . . . 41.24 110.368 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.3 t -59.43 -42.42 91.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.026 -0.988 . . . . 71.11 111.859 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 14.1 mm-40 -61.71 -48.2 81.84 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.9 0.48 . . . . 70.02 110.383 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.77 -48.77 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.711 0.632 . . . . 70.5 110.269 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 86.4 mt -55.22 -46.13 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 123.601 0.563 . . . . 64.53 110.31 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -57.17 -43.0 82.16 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 124.142 0.901 . . . . 70.15 110.553 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.6 mm100 -73.04 -22.74 60.58 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.507 0.723 . . . . 75.03 112.282 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.554 HG11 ' HB ' ' A' ' 73' ' ' VAL . 97.2 t -84.48 -27.68 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.17 0.588 . . . . 65.23 110.484 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 75.2 mt -67.69 -44.2 78.31 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.993 -1.114 . . . . 72.01 107.993 170.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.74 -42.08 78.65 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.407 1.483 . . . . 71.52 110.469 171.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -79.65 -21.71 44.47 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.793 -0.639 . . . . 53.41 111.928 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.2 28.27 71.94 Favored Glycine 0 CA--C 1.536 1.348 0 N-CA-C 112.024 -0.43 . . . . 61.11 112.024 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.17 179.14 4.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.389 1.076 . . . . 60.24 111.484 -171.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.82 142.0 28.1 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.668 0.787 . . . . 71.11 109.497 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.748 HG13 HG23 ' A' ' 93' ' ' VAL . 6.7 p -143.83 139.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.263 0.625 . . . . 73.02 110.342 177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' HG12 ' A' ' 50' ' ' ILE . 20.0 tp -118.7 111.8 18.96 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.173 0.989 . . . . 73.34 108.556 172.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.528 HD12 HG23 ' A' ' 59' ' ' ILE . 34.8 mm -88.07 107.29 17.32 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 CA-C-N 115.171 -0.922 . . . . 62.2 109.236 173.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.45 121.63 41.42 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.281 -1.007 . . . . 71.25 108.281 170.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 m -138.92 139.87 38.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.214 -1.402 . . . . 63.34 107.214 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 m -69.01 -33.36 73.53 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.12 0.568 . . . . 54.12 111.462 -174.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.7 130.98 42.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.132 0.973 . . . . 71.22 111.43 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.37 -22.47 59.19 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.503 0.721 . . . . 63.4 112.687 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -76.15 -33.73 59.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 108.867 -0.79 . . . . 71.4 108.867 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' HG12 ' A' ' 86' ' ' ILE . 55.7 mt -66.15 -50.58 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 109.123 -0.695 . . . . 73.14 109.123 172.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' HB ' ' A' ' 95' ' ' THR . 19.7 mm -50.41 -47.08 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.409 0.684 . . . . 74.11 111.107 173.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -65.14 -38.59 91.1 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.032 0.933 . . . . 64.52 111.162 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.5 m -63.5 -40.76 97.93 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.145 0.578 . . . . 72.4 110.656 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 82' ' ' ILE . 39.2 mm -68.62 -28.12 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.819 -0.628 . . . . 61.2 110.797 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 45.7 mtm180 -77.38 -41.54 39.8 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.041 0.536 . . . . 73.32 112.163 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -31.47 68.69 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.365 0.266 . . . . 75.13 110.792 -176.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.39 -53.19 7.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.98 0.512 . . . . 74.35 110.362 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.9 m-85 -121.99 96.47 46.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 123.872 0.869 . . . . 74.4 108.886 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.49 -18.06 23.14 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.019 1.812 . . . . 65.15 112.922 176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -83.16 -16.18 47.69 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.041 0.936 . . . . 54.33 113.385 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 73' ' ' VAL . 7.7 p -79.75 143.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.672 0.389 . . . . 64.41 110.696 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -75.97 114.33 14.48 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.446 -0.946 . . . . 75.2 108.446 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.554 ' HB ' HG23 ' A' ' 83' ' ' ILE . 7.3 p -120.49 144.07 48.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.832 0.853 . . . . 73.32 109.655 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -159.55 130.56 5.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.072 -0.513 . . . . 70.35 110.155 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -61.81 130.21 44.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.632 -0.713 . . . . 75.0 109.693 169.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.6 3.94 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.684 -1.228 . . . . 55.3 107.684 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -91.13 -52.12 4.98 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.595 0.358 . . . . 75.1 111.021 -175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 t70 -93.47 153.73 18.31 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.721 0.408 . . . . 75.52 110.406 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 13' ' ' ILE . 49.7 pttt -61.57 -23.42 65.97 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.596 1.158 . . . . 63.12 112.45 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.554 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 31.7 mm-40 -61.33 -51.17 69.97 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 74.25 110.322 169.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.64 -31.1 71.56 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.51 -1.223 . . . . 63.04 111.579 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 13' ' ' ILE . 60.3 t -69.48 -53.7 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.825 0.45 . . . . 72.04 110.635 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.7 pttt -64.51 -34.17 77.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.696 0.398 . . . . 70.21 110.999 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.4 -42.34 98.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.666 0.787 . . . . 71.42 111.229 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.07 81.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.62 0.768 . . . . 72.11 111.369 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 50' ' ' ILE . 70.7 t -64.79 -56.98 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.318 -0.856 . . . . 74.23 109.46 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 27.9 tt0 -49.99 -41.83 47.82 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 124.384 1.053 . . . . 64.42 110.689 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 114' ' ' GLU . 8.9 tp10 -61.72 -52.21 65.22 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.053 -0.976 . . . . 72.32 110.379 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.07 -31.71 67.33 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.378 1.071 . . . . 75.11 111.478 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 28' ' ' ILE . 58.3 mt -75.55 -49.95 17.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.861 0.865 . . . . 54.21 111.692 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 9.9 mtmp? -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.501 0.72 . . . . 62.32 111.039 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 117' ' ' SER . 11.4 mm-40 -80.5 -4.18 52.88 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 115.458 -0.792 . . . . 72.1 111.405 -175.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.47 66.75 1.58 Allowed Glycine 0 C--N 1.351 1.396 0 N-CA-C 113.926 0.33 . . . . 75.4 113.926 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.71 23.65 77.52 Favored Glycine 0 N--CA 1.474 1.215 0 N-CA-C 114.576 0.59 . . . . 63.2 114.576 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 42.8 t -166.08 133.78 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.682 -0.859 . . . . 64.1 108.682 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.54 -78.01 0.08 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.079 0.466 . . . . 52.02 109.847 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 167.03 124.32 0.01 OUTLIER 'General case' 0 C--N 1.352 0.699 0 C-N-CA 125.288 1.435 . . . . 73.41 108.213 -162.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -81.7 82.11 7.52 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 107.908 -1.145 . . . . 75.33 107.908 167.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.76 88.5 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.379 -0.828 . . . . 74.4 110.325 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.8 109.89 2.63 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 114.472 -1.24 . . . . 72.31 111.457 -170.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -98.1 127.98 44.35 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.264 -0.88 . . . . 74.34 109.755 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -65.23 140.23 58.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.05 1.34 . . . . 74.21 111.406 -173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 109.369 -0.604 . . . . 72.21 109.369 169.719 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 111.14 0.052 . . . . 75.44 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.94 95.54 0.34 Allowed Glycine 0 C--N 1.348 1.237 0 CA-C-O 119.636 -0.536 . . . . 73.32 112.508 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 47' ' ' ASP . 53.8 tptt -65.69 97.58 0.33 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 123.326 0.65 . . . . 64.53 110.219 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 28' ' ' ILE . 4.2 t -90.74 129.92 40.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 108.642 -0.873 . . . . 73.12 108.642 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG11 HD12 ' A' ' 37' ' ' ILE . 54.9 t -126.76 125.73 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 108.453 -0.943 . . . . 72.55 108.453 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HB3' HG22 ' A' ' 30' ' ' THR . 58.7 t80 -106.13 108.61 20.21 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.166 0.586 . . . . 61.22 109.742 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.7 tp -94.17 120.86 35.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.793 -1.188 . . . . 74.32 107.793 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.475 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 47.7 t -127.16 160.91 29.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.38 0.609 . . . . 55.45 110.571 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.19 -26.1 14.67 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.701 -1.136 . . . . 74.45 110.531 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.7 143.42 51.24 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.441 0.696 . . . . 73.43 111.207 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.431 HE21 ' HG3' ' A' ' 15' ' ' GLU . 24.2 tp60 -63.49 -46.47 86.0 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.449 1.1 . . . . 74.13 113.224 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' HB3' ' HD3' ' A' ' 101' ' ' LYS . 48.1 mt-10 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.894 -0.41 . . . . 73.12 109.894 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.612 HG21 ' HG2' ' A' ' 52' ' ' LYS . 19.5 mm -48.67 -51.55 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 O-C-N 124.321 1.013 . . . . 64.12 111.85 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -54.79 -48.43 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.101 0.961 . . . . 70.05 111.201 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' HG3' HE21 ' A' ' 11' ' ' GLN . 45.1 mt-10 -67.65 -36.62 81.1 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.874 0.869 . . . . 74.31 112.03 -174.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 17.3 mm-40 -68.48 -47.38 67.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 74.13 111.604 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.567 HG13 HG11 ' A' ' 108' ' ' VAL . 69.2 t -70.11 -36.83 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 115.662 -0.699 . . . . 74.23 111.033 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -62.09 -47.07 86.29 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.57 0.748 . . . . 63.32 110.885 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -66.33 -47.36 73.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.464 0.706 . . . . 74.01 110.881 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.6 tppt? -55.39 -53.08 60.73 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.756 0.66 . . . . 70.42 110.502 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.89 88.97 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.576 0.548 . . . . 55.42 112.19 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.2 -49.05 73.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.846 0.858 . . . . 62.52 110.88 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.85 -33.99 75.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.734 -0.666 . . . . 62.32 112.067 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 19.1 mm-40 -80.72 -21.43 41.21 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.347 0.259 . . . . 75.12 111.272 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.18 9.54 59.24 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 114.481 0.552 . . . . 64.01 114.481 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -74.34 132.71 42.28 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 117.526 0.663 . . . . 65.43 109.937 172.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.02 105.47 17.84 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 112' ' ' LEU . 14.4 mt -121.13 119.79 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 122.885 0.474 . . . . 74.51 110.173 178.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' HB3' HG22 ' A' ' 5' ' ' VAL . 57.1 tp60 -82.86 110.43 17.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.563 -0.903 . . . . 60.12 108.563 173.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 6' ' ' PHE . 36.3 p -97.18 138.01 35.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.898 0.479 . . . . 63.22 109.747 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 t -149.96 163.76 37.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.884 0.874 . . . . 72.44 109.806 -175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.55 -30.16 4.91 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.06 0.944 . . . . 62.44 109.16 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.25 109.36 7.68 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.411 0.684 . . . . 72.43 110.41 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -67.37 -30.62 70.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.282 0.633 . . . . 73.13 112.055 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -61.05 -42.55 98.69 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.344 0.658 . . . . 71.13 110.957 -172.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.9 tp10 -57.82 -52.14 66.69 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 124.307 1.005 . . . . 74.31 109.733 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.489 HD12 HG11 ' A' ' 5' ' ' VAL . 36.8 mm -66.01 -39.31 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.749 -1.114 . . . . 74.14 112.213 -171.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.512 HG23 ' HG3' ' A' ' 65' ' ' GLN . 91.4 mt -59.52 -41.56 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.322 1.049 . . . . 71.24 109.977 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 31.0 t70 -75.86 -26.57 57.24 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.354 -0.839 . . . . 72.41 111.397 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 52.4 mtp85 -72.69 -33.11 66.27 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 109.781 -0.452 . . . . 64.32 109.781 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 mt -68.59 -31.31 70.4 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.883 -0.599 . . . . 63.12 109.963 172.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 8.9 mtpm? -66.46 -34.18 77.36 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.492 0.717 . . . . 62.34 111.474 169.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 60.5 mtt180 -77.32 -7.24 55.69 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.294 0.637 . . . . 63.43 111.33 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 63.76 17.91 10.79 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.397 1.079 . . . . 74.42 110.506 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -68.71 -28.81 67.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.519 1.527 . . . . 71.24 112.144 -168.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.489 HG21 ' HB ' ' A' ' 49' ' ' ILE . 36.4 mt -100.49 124.16 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.385 -0.825 . . . . 74.32 110.166 -170.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 8.3 t70 -84.6 -37.68 20.83 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.839 0.855 . . . . 74.02 110.411 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 19.4 ptm -151.41 140.2 20.85 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.658 -1.156 . . . . 75.52 109.067 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.489 ' HB ' HG21 ' A' ' 46' ' ' ILE . 9.6 tt -140.21 141.39 33.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.629 0.772 . . . . 65.43 109.367 -172.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 74' ' ' LEU . 64.6 mt -126.04 118.0 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.072 -1.085 . . . . 73.44 108.072 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 62' ' ' ILE . 35.8 t -108.13 109.72 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 123.267 0.627 . . . . 74.22 109.435 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 13' ' ' ILE . 23.4 tptp -96.93 109.36 22.11 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.375 -0.972 . . . . 64.15 108.375 170.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.488 HG22 HG12 ' A' ' 51' ' ' VAL . 9.2 t -169.28 157.03 7.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.66 0.784 . . . . 75.24 109.735 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -102.09 -5.57 24.34 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.683 0.793 . . . . 74.13 109.023 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.41 109.26 14.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.537 0.735 . . . . 74.03 109.971 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -59.54 -31.84 69.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.007 1.323 . . . . 75.41 112.564 -174.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.09 -40.71 74.81 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.359 0.664 . . . . 65.22 111.191 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 m -63.11 -47.9 80.82 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.921 0.391 . . . . 74.41 110.041 177.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 75' ' ' ILE . 87.6 mt -58.26 -49.13 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 114.858 -1.064 . . . . 73.55 110.622 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 26.2 t -57.05 -56.01 27.28 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.105 0.962 . . . . 50.45 111.712 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 27.4 mm-40 -59.69 -49.83 76.23 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.446 0.698 . . . . 61.31 111.653 -174.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.579 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -58.1 -48.19 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 118.9 -0.572 . . . . 65.43 110.864 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 90.7 mt -55.44 -45.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 123.206 0.316 . . . . 74.35 110.646 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 60' ' ' SER . 92.8 mttt -55.88 -45.17 78.63 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.922 0.764 . . . . 74.44 110.93 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.9 mm100 -67.99 -32.84 73.53 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.105 -0.952 . . . . 74.21 111.99 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 73' ' ' VAL . 92.0 t -74.64 -35.66 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.28 0.632 . . . . 72.21 110.63 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.8 mt -59.91 -37.53 79.7 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.046 0.539 . . . . 72.24 109.642 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.18 -42.25 80.22 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.133 -0.94 . . . . 71.32 111.34 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 t -88.78 -13.16 40.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.059 0.544 . . . . 54.44 112.157 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.95 22.58 75.84 Favored Glycine 0 C--N 1.352 1.459 0 N-CA-C 114.135 0.414 . . . . 64.02 114.135 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -81.5 164.42 21.99 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 71.41 111.585 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.5 mppt? -79.03 124.42 28.26 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.446 -0.946 . . . . 74.32 108.446 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.635 ' HB ' HG11 ' A' ' 66' ' ' VAL . 4.7 p -121.84 131.63 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.989 0.423 . . . . 71.23 110.775 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.556 HD13 ' HG3' ' A' ' 94' ' ' GLU . 27.5 tp -118.96 120.87 38.55 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 108.53 -0.915 . . . . 64.44 108.53 173.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 95' ' ' THR . 50.4 mm -100.66 114.88 40.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.843 -0.799 . . . . 64.13 108.843 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 98.3 mt -108.87 120.05 41.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 108.252 -1.018 . . . . 64.2 108.252 175.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -139.23 141.68 37.87 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.961 -0.755 . . . . 72.33 108.961 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.0 m -66.67 -26.88 67.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.333 0.653 . . . . 71.51 111.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.15 119.42 34.6 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 121.723 0.773 . . . . 73.35 110.403 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.502 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . 12.1 pt-20 -75.11 -14.21 60.55 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.161 -0.927 . . . . 54.31 111.429 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.17 -27.69 38.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.963 -0.384 . . . . 71.31 109.963 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.447 HD11 ' HE2' ' A' ' 56' ' ' LYS . 78.3 mt -62.28 -54.61 31.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 N-CA-C 107.413 -1.328 . . . . 75.11 107.413 165.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.534 HG23 ' HB ' ' A' ' 95' ' ' THR . 41.2 mm -50.67 -47.05 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 O-C-N 124.498 1.124 . . . . 63.44 111.595 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.89 -39.26 83.67 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.31 0.644 . . . . 74.55 112.029 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 76.9 p -71.11 -33.49 70.19 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.725 0.297 . . . . 62.41 111.286 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.587 HG22 HG11 ' A' ' 93' ' ' VAL . 41.8 mm -68.65 -33.34 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.314 0.646 . . . . 64.42 110.246 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -69.54 -41.36 76.04 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.637 0.775 . . . . 75.32 112.136 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -73.68 -36.8 65.34 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 117.866 0.303 . . . . 73.53 110.914 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.55 -48.28 41.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.926 0.49 . . . . 74.54 110.373 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . 48.2 m-85 -115.68 101.01 54.15 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 108.367 -0.975 . . . . 72.15 108.367 -176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -65.25 -32.77 50.88 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.365 2.043 . . . . 73.32 113.956 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -102.74 6.82 39.64 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.037 0.754 . . . . 73.23 113.037 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 HG22 ' A' ' 86' ' ' ILE . 10.6 p -76.76 145.33 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 109.955 -0.387 . . . . 71.51 109.955 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.556 ' HG3' HD13 ' A' ' 74' ' ' LEU . 11.9 tp10 -92.86 132.95 36.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.62 -0.881 . . . . 63.43 108.62 172.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.608 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.4 p -144.23 152.83 41.38 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.403 0.681 . . . . 32.44 109.513 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' A' ' 118' ' ' LEU . 69.8 ttt180 -160.47 139.12 10.27 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HD3' ' HB3' ' A' ' 80' ' ' GLU . 49.9 ttp180 -68.75 129.72 40.74 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.507 -0.923 . . . . 70.23 108.507 173.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -144.65 107.29 4.43 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.072 -1.085 . . . . 71.41 108.072 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -94.54 -54.26 3.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.686 . . . . 73.41 110.015 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.0 t70 -95.91 154.99 16.94 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.753 -0.658 . . . . 71.51 110.185 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.6 pttm -60.89 -29.79 69.78 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.016 1.326 . . . . 72.22 112.558 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.1 pt-20 -69.92 -42.04 73.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.354 0.409 . . . . 73.24 111.039 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.79 -33.32 75.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.028 0.531 . . . . 75.41 111.526 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG21 HD12 ' A' ' 13' ' ' ILE . 99.2 t -72.41 -51.48 28.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 116.257 -0.429 . . . . 61.14 110.755 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.589 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.6 pttt -65.56 -31.67 72.84 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.355 0.409 . . . . 74.44 111.2 -175.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.74 -46.49 87.85 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.714 0.806 . . . . 71.34 111.33 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.42 72.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.222 0.609 . . . . 73.35 111.768 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.567 HG11 HG13 ' A' ' 17' ' ' VAL . 71.0 t -69.19 -54.21 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.27 0.628 . . . . 72.14 109.934 174.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.69 -49.25 65.68 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.169 0.988 . . . . 74.31 111.472 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.91 -43.72 98.16 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.877 -1.056 . . . . 73.24 111.014 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -62.51 -37.86 87.69 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.814 0.846 . . . . 74.44 110.974 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 28' ' ' ILE . 72.9 mt -72.03 -42.86 65.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.989 0.916 . . . . 74.51 111.498 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -70.3 -36.79 74.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.817 0.447 . . . . 63.03 111.13 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -78.7 -1.83 36.37 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.927 0.491 . . . . 71.33 111.562 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.07 -52.88 3.22 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.288 -0.725 . . . . 71.35 111.288 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -176.31 61.79 0.1 Allowed Glycine 0 C--N 1.34 0.768 0 N-CA-C 111.232 -0.747 . . . . 74.31 111.232 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.6 m -155.6 147.92 23.75 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.086 0.554 . . . . 72.02 111.405 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' A' ' 96' ' ' ARG . 77.6 mt -127.56 -50.53 1.38 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.659 1.584 . . . . 71.54 106.789 167.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.66 152.81 39.14 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.046 -0.979 . . . . 75.43 110.912 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -84.83 108.98 17.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.362 -0.836 . . . . 74.32 111.81 -171.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -66.72 98.98 0.56 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.915 -1.143 . . . . 75.34 107.915 165.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -56.07 110.98 0.83 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.309 1.006 . . . . 64.22 112.368 -166.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -82.01 98.53 8.65 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.547 -0.909 . . . . 74.33 108.547 176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -77.44 173.71 11.66 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.965 0.412 . . . . 75.05 111.05 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.3 p80 . . . . . 0 CA--C 1.553 1.06 0 C-N-CA 123.68 0.792 . . . . 74.34 109.514 179.123 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.373 -0.603 . . . . 63.1 109.373 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.4 35.14 Favored Glycine 0 C--O 1.243 0.7 0 N-CA-C 110.691 -0.964 . . . . 72.02 110.691 -173.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 52.7 tptt -161.8 108.28 1.34 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 117.151 0.476 . . . . 74.01 109.749 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 t -94.59 121.73 45.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.297 -1.001 . . . . 62.14 108.297 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.8 137.23 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.232 0.613 . . . . 71.1 109.825 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.436 ' HB3' HG22 ' A' ' 30' ' ' THR . 68.3 t80 -111.55 111.45 22.46 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.235 -0.654 . . . . 72.2 109.235 170.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 HG13 ' A' ' 37' ' ' ILE . 51.8 tp -95.83 136.37 36.33 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.757 -0.831 . . . . 72.23 108.757 171.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 41.4 t -159.58 137.92 10.48 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.703 0.801 . . . . 72.41 109.528 172.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.37 -25.92 58.08 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.5 0.72 . . . . 71.24 111.205 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.05 130.42 46.2 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.185 0.594 . . . . 72.31 109.963 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 14' ' ' ILE . 24.9 tp60 -65.21 -41.14 94.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.361 1.064 . . . . 74.45 112.222 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.53 -32.2 73.4 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.686 0.394 . . . . 71.1 110.733 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' HG2' ' A' ' 52' ' ' LYS . 28.8 mm -64.07 -48.35 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 O-C-N 123.985 0.803 . . . . 64.14 109.45 173.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 11' ' ' GLN . 92.3 mt -56.07 -42.18 71.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-N 114.565 -1.198 . . . . 72.25 110.222 178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 48.5 mt-10 -70.37 -34.4 72.55 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.913 0.885 . . . . 74.43 111.786 -175.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 36.4 mm-40 -63.9 -47.8 79.16 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.499 0.499 . . . . 62.33 110.879 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 105' ' ' LYS . 97.4 t -71.01 -43.61 76.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.172 -0.922 . . . . 52.21 111.176 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -63.76 -44.01 94.73 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.435 1.094 . . . . 55.52 111.136 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 24.7 tptp -64.22 -48.01 77.5 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 123.769 0.668 . . . . 74.24 111.192 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -70.22 -32.76 70.78 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.6 0.563 . . . . 75.13 111.331 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -35.93 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.896 -0.593 . . . . 53.13 110.074 173.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.7 -44.38 86.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.515 0.726 . . . . 64.54 110.307 175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 9.0 mm-40 -57.14 -42.98 82.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.406 0.682 . . . . 50.03 111.755 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -92.11 -10.82 37.56 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.94 -0.573 . . . . 73.44 112.453 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.37 21.39 73.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.937 -0.368 . . . . 52.41 113.659 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.27 111.89 4.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.755 0.822 . . . . 74.42 110.074 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.68 87.58 2.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.277 0.631 . . . . 71.41 109.503 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.31 123.42 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.203 -0.908 . . . . 73.03 109.645 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -82.5 119.88 24.78 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.407 -0.96 . . . . 75.43 108.407 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 6' ' ' PHE . 21.1 p -100.37 142.45 31.83 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.189 0.595 . . . . 63.35 110.116 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 37' ' ' ILE . 35.9 t -147.84 153.12 38.74 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.758 0.823 . . . . 73.1 109.606 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 8' ' ' SER . 39.8 t-20 -104.88 -45.3 4.6 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.399 1.08 . . . . 63.31 108.904 171.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.63 111.4 7.75 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.638 0.775 . . . . 73.24 110.531 -176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 58' ' ' SER . 0.0 OUTLIER -69.4 -21.99 63.73 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.521 -0.763 . . . . 71.22 112.217 179.173 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -65.3 -38.81 91.37 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.079 0.399 . . . . 51.42 110.512 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.65 -47.84 84.46 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.235 1.014 . . . . 43.42 110.355 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.501 HG13 HD13 ' A' ' 7' ' ' LEU . 42.8 mm -59.39 -52.6 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 114.455 -1.248 . . . . 74.42 111.963 -175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 91.3 mt -60.14 -36.52 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 73.53 110.274 -177.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 17.9 t70 -62.62 -46.9 86.11 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.31 1.006 . . . . 60.4 110.873 175.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.3 -31.13 70.34 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.895 0.478 . . . . 74.3 110.989 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 65' ' ' GLN . 94.9 mt -68.55 -34.27 75.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.366 0.666 . . . . 72.25 110.862 174.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 66.5 mttm -58.49 -40.06 81.75 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.318 0.647 . . . . 73.51 110.517 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 45.7 mtt180 -88.21 -7.72 56.41 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.959 -1.019 . . . . 73.42 111.48 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER 63.1 30.99 16.08 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.488 1.115 . . . . 75.53 109.664 -175.06 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -66.72 -30.25 70.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.582 0.753 . . . . 73.14 110.873 174.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' A' ' 41' ' ' LEU . 49.6 mt -102.28 127.6 55.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.776 0.83 . . . . 73.32 109.292 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 23.4 t70 -95.85 -33.69 12.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.63 0.772 . . . . 42.31 111.063 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 20.7 ptm -151.38 137.61 18.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.697 0.799 . . . . 75.4 108.962 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 12.9 tt -142.72 149.4 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.164 0.507 . . . . 74.34 110.687 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.634 HD13 ' HA ' ' A' ' 108' ' ' VAL . 70.6 mt -127.78 116.46 43.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.105 -1.072 . . . . 71.24 108.105 176.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 62' ' ' ILE . 57.4 t -107.55 111.98 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.197 0.999 . . . . 74.04 110.02 -175.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.7 tptp -103.76 107.07 17.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.73 -0.841 . . . . 71.53 108.73 171.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.7 t -171.35 162.63 6.81 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.909 0.883 . . . . 52.45 108.654 172.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -101.91 -4.67 25.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.578 0.751 . . . . 73.2 110.038 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -70.94 92.02 0.9 Allowed 'General case' 0 C--N 1.348 0.524 0 N-CA-C 109.214 -0.661 . . . . 60.12 109.214 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -55.67 -31.77 62.68 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.321 1.048 . . . . 63.0 112.419 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 38.9 mt-10 -60.95 -47.49 86.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.878 0.871 . . . . 72.31 111.434 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 78.1 p -69.61 -51.78 31.93 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.217 -0.29 . . . . 75.22 110.217 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 75' ' ' ILE . 86.5 mt -46.53 -55.37 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 124.635 1.209 . . . . 74.12 111.285 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -54.06 -51.89 62.64 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 124.766 1.291 . . . . 73.14 111.19 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 47.8 mm-40 -61.64 -41.78 97.98 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.918 0.761 . . . . 72.4 111.774 -176.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.48 -51.01 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 123.473 0.483 . . . . 72.45 109.996 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 59.7 mt -59.13 -45.23 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 123.737 0.648 . . . . 74.3 110.703 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -55.86 -44.09 77.72 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.972 0.909 . . . . 73.01 110.447 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 16.6 mm100 -68.44 -35.16 77.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.752 -1.113 . . . . 72.41 111.251 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.493 HG21 ' HB ' ' A' ' 73' ' ' VAL . 57.1 t -71.3 -30.5 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.442 0.697 . . . . 73.53 110.673 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 85.4 mt -66.72 -40.21 88.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.102 0.561 . . . . 62.24 109.868 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.09 -41.76 73.65 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.49 0.716 . . . . 53.35 111.363 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB2' ' HG2' ' A' ' 44' ' ' ARG . 79.8 p -79.72 -25.02 41.25 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.191 0.597 . . . . 75.32 111.194 -173.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.15 43.88 69.44 Favored Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.245 -0.742 . . . . 72.11 111.245 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.45 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -100.29 -173.58 2.46 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.996 0.918 . . . . 62.32 110.604 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.3 mppt? -105.28 145.19 31.02 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.562 -0.903 . . . . 51.24 108.562 169.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 7.7 p -145.67 137.3 19.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 122.835 0.454 . . . . 74.41 111.191 175.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.34 133.2 56.25 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.124 -1.065 . . . . 75.11 108.124 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 59' ' ' ILE . 39.8 mm -111.57 117.76 55.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.057 -0.72 . . . . 74.33 109.057 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.8 mt -116.57 126.32 53.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.476 1.11 . . . . 64.4 108.434 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.41 ' H ' HD11 ' A' ' 83' ' ' ILE . 11.8 m -145.25 144.37 30.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.794 -1.187 . . . . 71.1 107.794 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -67.77 -42.75 81.21 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.749 0.42 . . . . 72.33 110.317 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.02 119.26 18.95 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.648 0.779 . . . . 54.24 111.188 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.81 69.49 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.2 1.0 . . . . 51.3 112.371 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -62.61 -41.93 99.28 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.285 0.634 . . . . 73.31 110.112 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' HG12 ' A' ' 86' ' ' ILE . 73.2 mt -72.36 -43.53 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.19 -0.914 . . . . 74.44 110.455 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.635 HG22 ' HE ' ' A' ' 87' ' ' ARG . 39.9 mm -60.5 -41.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 122.4 0.28 . . . . 64.22 110.981 176.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.6 -45.63 93.28 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.579 0.752 . . . . 75.05 110.45 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.628 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 54.3 m -58.91 -46.53 87.7 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 123.86 0.725 . . . . 74.54 111.657 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 82' ' ' ILE . 32.8 mm -67.74 -32.38 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 122.694 0.398 . . . . 74.33 110.81 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.635 ' HE ' HG22 ' A' ' 83' ' ' ILE . 51.5 mtm180 -69.9 -40.84 75.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.824 0.45 . . . . 75.21 112.05 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 55.1 pttt -81.86 -33.87 30.4 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 111.617 0.228 . . . . 65.01 111.617 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.84 -36.76 59.52 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.973 0.416 . . . . 65.2 110.222 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 93' ' ' VAL . 58.9 m-85 -133.04 95.3 18.95 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 124.007 0.923 . . . . 70.34 109.141 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.74 -26.72 11.2 Favored 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 121.987 1.791 . . . . 73.32 113.068 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.88 1.94 50.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.448 0.699 . . . . 73.22 112.784 -171.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 9.1 p -92.72 148.29 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.058 0.543 . . . . 74.05 109.941 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -78.58 134.57 37.21 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 108.958 -0.756 . . . . 73.31 108.958 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 75' ' ' ILE . 12.1 p -141.64 148.14 38.7 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.872 0.869 . . . . 75.51 109.657 -175.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -158.87 141.29 14.07 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.976 0.91 . . . . 71.14 108.738 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -71.03 126.27 29.12 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.738 -0.838 . . . . 75.52 108.738 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.59 103.49 4.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.206 -1.035 . . . . 60.35 108.206 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -96.6 -42.33 8.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.872 0.869 . . . . 75.21 110.243 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -92.04 149.8 21.32 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.992 -0.744 . . . . 72.51 108.992 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.488 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -62.8 -25.68 68.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.97 0.908 . . . . 74.22 112.236 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.45 -44.18 83.49 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 109.148 -0.686 . . . . 70.02 109.148 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.33 -36.44 71.15 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 123.49 0.716 . . . . 72.22 111.031 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 108' ' ' VAL . 39.3 t -65.71 -58.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 124.23 0.956 . . . . 64.35 110.447 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.556 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.3 pttt -64.63 -32.36 73.99 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.791 0.682 . . . . 75.22 111.503 -174.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.24 -55.17 36.95 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 123.432 0.458 . . . . 73.34 110.841 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.69 71.0 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.879 0.737 . . . . 72.24 111.766 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.634 ' HA ' HD13 ' A' ' 50' ' ' ILE . 53.6 t -62.36 -55.98 20.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 C-N-CA 123.783 0.833 . . . . 75.24 109.861 174.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 42.9 tt0 -64.2 -37.06 86.13 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.536 -0.757 . . . . 63.03 110.941 -176.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.04 -37.83 88.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.5 0.72 . . . . 73.01 110.474 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' HA ' ' O ' ' A' ' 117' ' ' SER . 65.0 t80 -63.72 -35.82 81.82 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.481 0.712 . . . . 64.53 109.937 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 68.1 mt -72.14 -40.71 67.87 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.068 -0.969 . . . . 72.11 110.957 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.562 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 99.3 mttt -61.21 -41.14 96.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.703 0.801 . . . . 75.24 112.441 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 117' ' ' SER . 14.0 mm-40 -83.78 9.61 11.48 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.868 0.467 . . . . 64.23 112.088 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 69.2 46.25 58.49 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 112.379 -0.288 . . . . 70.43 112.379 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.19 37.75 9.67 Favored Glycine 0 C--N 1.342 0.881 0 O-C-N 123.675 0.279 . . . . 62.22 113.116 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.538 ' O ' ' HA ' ' A' ' 111' ' ' PHE . 59.8 m -155.08 170.64 21.33 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.268 0.627 . . . . 55.05 110.167 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.3 mt -121.51 179.57 4.4 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.992 0.917 . . . . 72.53 108.716 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.44 103.24 12.73 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.951 -1.022 . . . . 73.31 108.327 165.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -66.21 133.74 51.27 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 107.764 -1.199 . . . . 74.12 107.764 168.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -86.16 50.5 2.0 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.966 0.889 . . . . 74.21 109.88 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -134.97 37.32 3.03 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.789 1.635 . . . . 61.35 107.825 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -63.54 86.66 0.03 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 123.91 0.884 . . . . 74.35 108.885 175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -98.5 2.87 48.04 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.687 -1.142 . . . . 61.33 110.897 -168.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 123.977 0.911 . . . . 73.43 108.839 176.563 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 109.331 -0.618 . . . . 54.03 109.331 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.39 73.36 1.6 Allowed Glycine 0 C--N 1.346 1.128 0 O-C-N 123.825 0.703 . . . . 73.43 113.87 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -78.51 104.49 9.15 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 109.066 -0.716 . . . . 74.13 109.066 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 28' ' ' ILE . 20.2 t -88.27 129.75 38.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 108.166 -1.05 . . . . 64.54 108.166 172.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.6 t -122.07 114.21 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 108.702 -0.851 . . . . 75.34 108.702 171.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' THR . 75.6 t80 -92.84 104.26 16.53 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.518 0.675 . . . . 64.33 109.412 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.3 tp -101.89 131.07 48.47 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 124.913 1.285 . . . . 73.21 108.72 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 52' ' ' LYS . 62.0 m -151.58 155.48 38.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.0 0.52 . . . . 74.21 111.734 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.11 -41.48 17.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.419 1.088 . . . . 71.14 111.052 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.61 134.83 34.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.162 0.585 . . . . 73.03 110.405 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -71.24 -41.18 70.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.137 0.975 . . . . 72.44 112.516 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.73 -36.2 71.72 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.12 0.568 . . . . 74.42 110.268 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.641 HD12 HG21 ' A' ' 104' ' ' VAL . 48.6 mm -62.63 -53.13 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 114.902 -1.045 . . . . 52.54 110.473 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.82 -44.79 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.33 1.052 . . . . 74.03 110.885 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.11 -45.43 85.16 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.12 111.804 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 20.6 mm-40 -65.49 -42.4 92.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.716 0.806 . . . . 74.32 112.032 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.22 -37.79 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 115.874 -0.603 . . . . 71.3 111.141 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -64.87 -35.73 82.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.733 0.813 . . . . 65.53 110.852 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -66.57 -42.69 86.65 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.209 -0.905 . . . . 74.33 110.057 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -65.24 -38.53 90.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.115 -0.493 . . . . 74.41 111.269 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -62.25 -30.59 71.22 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 71.52 111.195 177.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.64 -54.68 8.39 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 65.1 111.183 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.06 -45.96 89.74 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.201 1.0 . . . . 73.2 112.069 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.81 -23.91 59.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.522 0.729 . . . . 75.13 110.992 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.43 32.01 52.74 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 116.349 -0.387 . . . . 53.43 113.135 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.05 140.41 47.22 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.296 0.638 . . . . 61.43 110.03 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -87.73 85.55 7.07 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.034 -0.728 . . . . 62.25 109.034 173.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.484 HD12 ' HB2' ' A' ' 21' ' ' ALA . 24.5 mt -116.56 129.79 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 115.606 -0.725 . . . . 62.5 109.649 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 5' ' ' VAL . 59.2 tp60 -91.82 114.54 27.11 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 107.922 -1.14 . . . . 64.51 107.922 165.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 6' ' ' PHE . 43.8 p -97.06 146.15 25.29 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.294 -0.632 . . . . 50.14 109.294 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -160.15 162.1 33.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.158 0.583 . . . . 74.42 110.904 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 8' ' ' SER . 24.2 t-20 -112.42 -47.38 3.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.384 1.074 . . . . 72.3 109.631 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.15 98.66 1.37 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 114.605 -1.179 . . . . 64.11 111.019 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.676 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 7.7 ptpp? -65.41 -31.8 73.09 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.835 -1.075 . . . . 73.23 113.484 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -69.35 -22.22 63.77 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.345 0.403 . . . . 72.45 111.074 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 8.2 tp10 -67.34 -43.65 81.03 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.695 0.798 . . . . 64.13 109.904 170.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -77.62 -35.02 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.104 . . . . 75.13 111.748 -175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 65' ' ' GLN . 71.2 mt -58.98 -34.65 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.567 1.147 . . . . 73.33 109.712 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 14.7 t70 -63.7 -36.81 85.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.711 0.805 . . . . 73.21 110.801 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 36' ' ' GLU . 64.6 mtt85 -81.59 -23.67 36.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.306 0.642 . . . . 71.11 111.575 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.69 -31.92 68.98 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.229 0.611 . . . . 75.55 110.107 168.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 55.1 mtpt -70.22 -29.1 65.84 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.047 0.939 . . . . 74.53 110.736 172.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 75.5 mtt180 -78.32 -15.77 58.4 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 71.41 111.048 174.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.4 24.12 13.66 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.297 1.039 . . . . 74.24 111.041 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -99.34 10.68 40.95 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.52 0.728 . . . . 71.44 112.433 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.97 129.54 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 108.402 -0.962 . . . . 65.42 108.402 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -84.0 -47.39 11.03 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.603 0.716 . . . . 71.14 110.098 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 ptm -145.49 137.41 25.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.042 -0.981 . . . . 65.14 109.384 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 tt -131.02 145.74 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.921 0.888 . . . . 74.12 109.213 -175.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 108' ' ' VAL . 61.6 mt -123.83 132.06 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.683 1.193 . . . . 71.33 107.939 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.23 109.93 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 108.969 -0.752 . . . . 74.23 108.969 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 98' ' ' ALA . 25.3 tptp -108.02 107.48 18.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.577 0.703 . . . . 74.2 109.148 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -150.99 -161.37 1.32 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 107.075 -1.454 . . . . 72.42 107.075 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -146.09 33.04 1.0 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -132.63 113.09 12.61 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.504 0.722 . . . . 64.34 109.898 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 82' ' ' ILE . 9.5 mtmp? -58.64 -31.06 67.77 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.412 1.085 . . . . 75.23 112.498 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.97 -48.03 59.91 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.635 0.774 . . . . 74.55 110.719 -173.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.676 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . 46.0 p -66.72 -40.33 88.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.717 0.807 . . . . 60.32 111.073 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 75' ' ' ILE . 92.2 mt -54.63 -48.25 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 O-C-N 124.283 0.989 . . . . 74.33 110.202 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 34.4 t -59.74 -35.55 74.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.773 1.229 . . . . 72.24 111.962 -174.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.39 -48.83 73.97 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.222 0.609 . . . . 72.43 111.199 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.8 mp -61.2 -44.94 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 115.509 -0.769 . . . . 74.53 109.79 177.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 60.4 mt -58.74 -40.92 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 123.658 0.599 . . . . 64.12 110.96 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' SER . 64.2 mttp -56.2 -47.27 78.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.313 0.645 . . . . 74.34 110.061 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HG3' HG23 ' A' ' 38' ' ' ILE . 13.3 mm100 -65.24 -33.25 75.54 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 115.193 -0.912 . . . . 71.42 111.686 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.624 HG11 ' HB ' ' A' ' 73' ' ' VAL . 95.7 t -79.45 -22.95 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.3 0.64 . . . . 64.11 110.904 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 95.8 mt -70.73 -34.09 71.52 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.246 -0.65 . . . . 73.35 109.246 173.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -73.0 -38.95 66.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.901 0.88 . . . . 73.22 111.777 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 70.8 p -85.72 -32.73 21.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.829 0.452 . . . . 61.23 111.805 -175.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.81 26.01 65.84 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 115.883 -0.599 . . . . 43.24 113.037 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.8 172.02 14.34 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.748 0.819 . . . . 55.34 111.534 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -83.59 120.67 26.25 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.95 -1.129 . . . . 65.32 107.95 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.624 ' HB ' HG11 ' A' ' 66' ' ' VAL . 6.1 p -118.02 132.77 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 122.875 0.47 . . . . 74.44 110.251 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.41 129.41 56.55 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.264 -1.013 . . . . 64.04 108.264 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.592 HD12 HG23 ' A' ' 59' ' ' ILE . 36.6 mm -115.45 108.55 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.583 -0.895 . . . . 64.44 108.583 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.5 mt -104.05 124.08 48.4 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 124.221 1.008 . . . . 64.11 108.635 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.3 m -139.13 148.18 42.9 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.679 -0.86 . . . . 75.04 108.679 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -83.4 10.53 8.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.104 0.562 . . . . 72.53 112.269 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -134.49 130.04 36.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.253 0.621 . . . . 72.13 110.394 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.35 -35.15 78.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.711 1.204 . . . . 73.53 113.04 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -76.99 -32.95 57.59 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.884 0.474 . . . . 54.54 110.416 -174.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 56' ' ' LYS . 52.7 mt -66.88 -47.68 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.621 0.768 . . . . 64.43 109.81 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 30.3 mm -56.24 -44.17 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.404 0.681 . . . . 73.34 110.038 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.1 -41.23 99.33 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.994 0.917 . . . . 61.23 111.366 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.467 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.8 m -60.26 -44.39 95.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.22 0.608 . . . . 71.3 111.028 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 HG11 ' A' ' 93' ' ' VAL . 47.7 mm -69.39 -31.23 48.6 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.635 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 21.3 mtm180 -69.58 -42.43 74.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.127 0.571 . . . . 74.54 112.266 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 62.0 pttt -80.93 -36.7 30.66 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.865 0.32 . . . . 75.24 111.865 -174.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.19 -40.46 71.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.87 0.468 . . . . 72.42 110.677 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 93' ' ' VAL . 12.3 m-85 -122.18 101.84 40.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 108.308 -0.997 . . . . 71.24 108.308 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.14 -32.81 26.6 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.321 2.014 . . . . 75.35 113.563 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -102.41 15.18 29.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.007 0.743 . . . . 73.21 113.007 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.55 HG11 HG22 ' A' ' 86' ' ' ILE . 14.7 p -85.37 146.73 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 109.577 -0.527 . . . . 72.41 109.577 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -91.26 114.17 26.63 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 107.741 -1.207 . . . . 64.13 107.741 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.2 p -118.37 152.95 34.85 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.223 0.609 . . . . 73.43 109.828 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -160.04 134.51 7.58 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.185 -1.043 . . . . 73.44 108.185 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -69.09 138.83 54.64 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.188 -0.671 . . . . 71.21 109.188 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.525 ' O ' ' HE2' ' A' ' 52' ' ' LYS . . . -147.88 116.71 6.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.114 -1.439 . . . . 71.12 107.114 173.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -96.27 -57.28 2.37 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.124 0.488 . . . . 74.24 109.847 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 t70 -91.93 159.72 15.62 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.519 -0.764 . . . . 54.14 110.509 -176.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.83 -32.83 73.19 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.159 1.384 . . . . 70.3 112.578 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.1 pt-20 -67.81 -41.01 83.78 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.636 0.775 . . . . 73.02 110.435 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.1 -40.39 93.56 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.702 0.801 . . . . 65.12 110.842 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.641 HG21 HD12 ' A' ' 13' ' ' ILE . 57.9 t -67.07 -51.64 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.881 0.738 . . . . 72.5 111.176 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 59.1 pttt -68.52 -32.16 71.91 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.172 0.434 . . . . 74.21 112.172 -175.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -65.57 -38.21 88.88 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.402 0.281 . . . . 73.21 111.218 170.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.58 95.0 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.338 0.655 . . . . 40.41 110.749 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 57.2 t -62.63 -48.86 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.124 0.97 . . . . 62.51 110.034 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 31.1 tt0 -55.72 -46.42 77.73 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.921 -1.036 . . . . 55.54 111.034 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.11 -35.53 69.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.508 0.723 . . . . 75.41 111.934 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -61.12 -34.41 74.94 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.538 0.735 . . . . 62.14 109.941 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 34.3 mt -83.77 -45.14 13.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.683 -0.689 . . . . 75.32 112.235 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 63.0 mttm -64.46 -32.92 74.75 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 120.672 0.273 . . . . 74.34 111.67 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -95.91 -19.49 19.5 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.152 0.581 . . . . 72.34 111.121 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.56 10.45 79.54 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.402 0.439 . . . . 73.04 113.388 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -177.12 -103.84 0.17 Allowed Glycine 0 C--N 1.343 0.961 0 N-CA-C 111.179 -0.768 . . . . 71.42 111.179 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.9 p -57.77 119.53 6.82 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.13 0.972 . . . . 72.23 113.445 -174.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 118' ' ' LEU . 3.2 mp -86.24 -29.78 22.86 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.439 1.096 . . . . 72.44 109.826 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.03 -161.77 0.77 Allowed 'General case' 0 C--O 1.243 0.755 0 C-N-CA 125.824 1.65 . . . . 63.13 110.247 -173.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 71.95 -66.17 0.31 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.505 1.522 . . . . 64.4 108.413 -166.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.3 140.93 54.41 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.339 0.655 . . . . 64.41 110.689 174.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 63.44 23.82 13.86 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.732 1.213 . . . . 71.44 111.684 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -116.13 104.6 11.71 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.657 -0.868 . . . . 74.31 108.657 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 96.07 0.18 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.325 1.05 . . . . 71.13 111.27 -174.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.9 m80 . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.847 0.859 . . . . 74.23 108.803 172.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.465 -0.569 . . . . 74.23 109.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.62 -175.16 18.13 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 110.867 -0.893 . . . . 73.33 110.867 172.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . 53.4 tptt -167.68 111.36 0.66 Allowed 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.624 0.37 . . . . 75.21 110.416 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.41 118.52 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.927 -1.138 . . . . 54.25 107.927 170.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 37' ' ' ILE . 77.5 t -119.74 134.44 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.551 0.741 . . . . 74.42 109.5 175.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' HB3' HG22 ' A' ' 30' ' ' THR . 81.5 t80 -107.86 117.29 33.73 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.007 -0.738 . . . . 71.21 109.007 165.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 58.9 tp -102.78 138.07 40.15 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.78 -0.822 . . . . 73.52 108.78 172.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.432 ' HB3' HG12 ' A' ' 14' ' ' ILE . 40.1 t -156.31 161.6 40.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.488 0.715 . . . . 70.43 109.575 172.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.57 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 34.6 t70 -99.85 -29.71 12.45 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.489 0.661 . . . . 73.52 110.148 174.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.44 116.08 21.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.681 -1.145 . . . . 73.44 109.003 -171.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -54.39 -49.37 70.05 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.819 0.847 . . . . 74.52 112.942 -172.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.86 -54.62 42.38 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.916 0.76 . . . . 65.01 110.237 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 HG11 ' A' ' 104' ' ' VAL . 29.9 mm -46.55 -49.08 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 124.723 1.264 . . . . 60.12 113.294 176.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG12 ' HB3' ' A' ' 8' ' ' SER . 68.0 mt -57.21 -47.16 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.161 0.584 . . . . 74.14 110.205 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.13 -27.27 62.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.999 0.92 . . . . 73.11 112.199 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.612 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 10.7 mm-40 -74.6 -44.01 52.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.451 0.7 . . . . 75.3 110.928 -178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG13 HG11 ' A' ' 108' ' ' VAL . 97.0 t -75.32 -33.16 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.382 -0.826 . . . . 71.03 110.47 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -68.38 -42.59 78.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.126 0.57 . . . . 74.3 110.717 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -60.3 -46.87 88.34 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.411 -0.589 . . . . 73.23 109.411 175.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 28.5 ttmt -67.37 -29.04 68.46 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.661 -0.699 . . . . 71.32 111.718 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.89 99.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.481 0.313 . . . . 74.11 110.251 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.54 -50.02 60.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.013 0.525 . . . . 74.42 111.253 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.52 -48.25 77.63 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.466 1.106 . . . . 75.11 112.035 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -81.33 -20.07 41.48 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.303 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.32 6.29 68.83 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-O 119.633 -0.537 . . . . 64.34 113.189 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.69 129.15 38.75 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.557 0.743 . . . . 74.45 110.226 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -79.12 89.39 4.83 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.492 -0.929 . . . . 72.51 108.492 168.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.2 116.89 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.142 -0.688 . . . . 73.45 109.142 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.45 107.46 8.73 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.738 -0.838 . . . . 62.24 108.738 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 6' ' ' PHE . 10.8 p -97.39 126.66 42.77 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.277 0.631 . . . . 63.12 109.54 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -148.35 159.34 44.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.173 0.589 . . . . 64.44 111.124 -167.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.57 ' ND2' ' HA ' ' A' ' 9' ' ' ASP . 3.1 t-20 -114.52 -9.19 12.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.388 1.075 . . . . 65.14 109.073 170.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 37' ' ' ILE . 11.0 m-20 -77.28 77.54 3.81 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.721 0.808 . . . . 74.03 110.027 -176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -59.87 -36.34 76.69 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.71 0.804 . . . . 64.4 109.915 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -64.93 -44.24 90.13 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.029 0.932 . . . . 72.32 110.965 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 25.4 tt0 -63.52 -45.05 92.42 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.629 0.581 . . . . 60.23 109.762 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.512 HD12 HG11 ' A' ' 5' ' ' VAL . 36.1 mm -64.25 -41.66 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.749 -0.66 . . . . 60.11 111.187 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.6 mt -58.21 -40.59 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.717 0.807 . . . . 74.53 110.339 174.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.85 -40.46 91.73 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.439 1.096 . . . . 72.24 111.193 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 23.9 mtp180 -73.13 -28.49 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.243 0.617 . . . . 73.33 110.685 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD23 ' HB ' ' A' ' 46' ' ' ILE . 76.4 mt -73.36 -29.4 62.62 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.756 0.822 . . . . 74.12 110.738 173.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 97.1 mttt -66.55 -29.79 69.95 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.139 0.576 . . . . 75.1 110.592 172.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -81.56 -16.85 50.4 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.36 -0.836 . . . . 74.4 110.665 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.647 ' HG3' ' HA ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 66.34 20.78 11.0 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.779 1.231 . . . . 72.22 111.319 -174.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.36 1.01 34.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.012 0.925 . . . . 72.24 112.479 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 66.3 mt -111.4 123.35 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 71.03 109.151 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.565 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 14.4 t70 -84.07 -36.36 23.1 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.817 0.847 . . . . 73.2 111.46 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.612 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 17.9 ptm -153.79 144.76 22.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.601 -0.727 . . . . 71.41 110.084 177.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.6 tt -142.88 145.13 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.495 0.718 . . . . 74.12 110.593 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.531 HD12 HG13 ' A' ' 108' ' ' VAL . 62.1 mt -128.31 122.54 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 108.088 -1.079 . . . . 63.14 108.088 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 62' ' ' ILE . 62.1 t -115.37 122.1 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.964 0.906 . . . . 61.32 110.347 -175.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -115.7 111.69 20.95 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.649 0.78 . . . . 73.44 110.036 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.417 ' O ' HD11 ' A' ' 59' ' ' ILE . 9.8 t -170.48 166.13 8.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.293 1.037 . . . . 61.02 108.936 172.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -104.27 1.3 30.29 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.07 0.548 . . . . 72.35 110.142 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.24 88.84 1.52 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.748 -1.205 . . . . 75.54 107.748 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.9 mtpt -56.35 -34.12 66.32 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.485 1.114 . . . . 73.22 112.874 -176.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 44.5 mt-10 -63.09 -50.14 71.72 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.955 0.784 . . . . 63.14 110.614 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.4 p -66.51 -47.24 73.6 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.438 0.461 . . . . 74.14 110.798 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.522 HG23 HD12 ' A' ' 75' ' ' ILE . 86.4 mt -49.32 -51.36 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.131 0.894 . . . . 74.31 110.014 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -56.0 -47.96 76.78 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.445 -1.252 . . . . 75.03 111.902 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 13.8 mm-40 -61.84 -49.3 76.83 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.59 0.556 . . . . 72.22 110.963 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.496 HG21 HG21 ' A' ' 51' ' ' VAL . 1.9 mp -54.01 -48.11 64.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 O-C-N 123.919 0.762 . . . . 65.11 110.752 177.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.8 mt -61.22 -42.1 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 122.672 0.389 . . . . 73.24 110.92 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.15 -41.61 79.48 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.245 0.618 . . . . 74.51 110.285 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 7.3 mm100 -65.97 -40.04 90.92 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.265 -0.88 . . . . 72.34 110.602 176.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' A' ' 71' ' ' ALA . 98.5 t -73.65 -26.51 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 C-N-CA 123.789 0.836 . . . . 64.13 111.832 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 93.3 mt -65.83 -42.11 90.97 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.583 -0.895 . . . . 64.14 108.583 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.03 -32.46 67.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.518 -1.219 . . . . 52.22 110.865 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.647 ' HA ' ' HG3' ' A' ' 44' ' ' ARG . 9.5 t -82.36 -35.28 27.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.563 0.745 . . . . 42.42 111.735 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.71 27.48 58.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 116.062 -0.517 . . . . 44.55 113.508 -174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.608 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -87.53 162.41 17.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.538 0.735 . . . . 34.31 111.445 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 3.9 mppt? -83.79 111.17 18.95 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.151 -0.685 . . . . 75.1 109.151 173.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HG23 ' A' ' 93' ' ' VAL . 5.4 p -112.26 129.35 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.164 0.586 . . . . 74.13 111.137 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.507 ' HB3' HG12 ' A' ' 50' ' ' ILE . 37.0 tp -115.81 123.29 47.82 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 108.497 -0.927 . . . . 73.21 108.497 171.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' A' ' 95' ' ' THR . 42.1 mm -102.69 126.73 56.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 123.461 0.704 . . . . 73.24 109.31 177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -123.56 132.96 54.03 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 124.82 1.248 . . . . 73.21 108.181 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -151.29 148.14 27.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.096 -1.076 . . . . 51.4 108.096 175.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.9 m -68.1 -16.24 63.93 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.069 0.548 . . . . 74.5 111.224 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -112.42 128.74 56.4 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.097 0.559 . . . . 65.42 111.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 12.5 pt-20 -80.84 -11.94 59.51 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.962 0.905 . . . . 64.11 112.851 -175.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -84.16 -31.39 25.18 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.102 -0.703 . . . . 60.32 109.102 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 56' ' ' LYS . 71.8 mt -65.57 -47.75 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 108.804 -0.813 . . . . 72.42 108.804 167.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.524 HG23 ' HB ' ' A' ' 95' ' ' THR . 24.8 mm -56.2 -39.98 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.416 -0.811 . . . . 65.2 111.395 174.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.67 -41.05 84.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.293 0.637 . . . . 75.12 111.169 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.8 m -58.56 -40.14 82.21 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.428 0.632 . . . . 55.33 110.664 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 93' ' ' VAL . 33.2 mm -70.94 -36.08 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 114.74 -1.118 . . . . 51.13 110.946 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -65.01 -44.2 89.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.174 0.589 . . . . 74.51 111.859 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.89 -34.49 29.96 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.707 0.403 . . . . 70.14 111.769 -170.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -76.2 -33.59 59.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.707 0.403 . . . . 74.41 111.002 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.59 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.7 m-85 -129.55 91.93 39.48 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.42 -0.956 . . . . 74.45 108.42 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.19 -25.66 36.9 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.216 1.944 . . . . 73.43 114.478 -175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -97.95 13.61 30.17 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.948 0.721 . . . . 75.24 112.948 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 73' ' ' VAL . 13.0 p -90.79 142.36 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 109.874 -0.417 . . . . 75.3 109.874 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -83.24 127.53 33.71 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.273 -1.01 . . . . 74.1 108.273 170.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 75' ' ' ILE . 68.3 p -132.49 156.95 45.85 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.105 0.562 . . . . 73.21 110.686 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -160.2 132.35 6.23 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.33 -0.989 . . . . 63.24 108.33 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.55 120.17 22.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.607 -0.886 . . . . 74.23 108.607 170.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.63 106.75 5.73 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.671 -1.233 . . . . 71.2 107.671 -172.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -93.72 -46.68 7.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.576 0.75 . . . . 71.42 110.177 -170.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.2 145.35 32.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.851 -1.068 . . . . 73.43 109.869 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 53.8 pttt -64.77 -28.92 69.9 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.885 0.874 . . . . 71.22 111.688 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -66.28 -41.76 89.39 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.634 -0.712 . . . . 72.13 110.235 172.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.88 -32.3 72.7 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.841 0.856 . . . . 73.53 112.321 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.462 HG11 HG23 ' A' ' 13' ' ' ILE . 80.6 t -72.44 -53.79 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.835 0.454 . . . . 61.32 110.752 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.612 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 64.5 pttt -66.21 -29.31 69.54 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.028 0.205 . . . . 74.12 110.863 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.17 -47.62 85.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.929 0.891 . . . . 74.31 111.182 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.61 81.04 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.347 0.659 . . . . 52.2 111.297 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.531 HG13 HD12 ' A' ' 50' ' ' ILE . 82.6 t -65.15 -59.2 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.466 -0.788 . . . . 52.01 109.676 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.539 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 26.3 tt0 -47.82 -48.94 30.4 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.498 1.519 . . . . 73.41 111.629 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.58 -50.45 71.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 113.792 -1.549 . . . . 73.41 111.212 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -57.03 -32.7 66.44 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.326 1.05 . . . . 54.4 111.348 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 40.4 mt -78.38 -39.27 39.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.22 -0.9 . . . . 73.43 111.529 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 65.4 mttm -71.71 -28.48 63.72 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.767 0.427 . . . . 64.44 111.034 176.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.76 8.01 39.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.131 0.973 . . . . 75.01 111.204 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.96 -64.9 3.56 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 116.406 -0.361 . . . . 60.31 112.749 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.555 ' HA3' ' HG2' ' A' ' 72' ' ' LYS . . . -175.87 44.16 0.12 Allowed Glycine 0 C--N 1.339 0.716 0 N-CA-C 111.99 -0.444 . . . . 71.13 111.99 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.0 p -159.54 131.64 6.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.409 0.684 . . . . 54.23 109.835 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.7 mt -77.9 -14.6 59.49 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 119.686 -0.197 . . . . 73.12 111.068 171.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.05 103.64 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 108.319 -0.993 . . . . 73.4 108.319 172.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -68.9 144.69 54.13 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.818 -1.083 . . . . 65.52 111.454 -166.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -83.61 63.71 7.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.947 0.879 . . . . 74.41 109.235 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -91.89 74.0 5.67 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 114.636 -1.165 . . . . 61.45 109.125 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -94.29 -21.92 18.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.314 -0.857 . . . . 75.11 110.64 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.15 120.68 16.21 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.726 -0.472 . . . . 74.24 109.726 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.1 m80 . . . . . 0 C--O 1.253 1.237 0 N-CA-C 108.218 -1.03 . . . . 72.31 108.218 176.744 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.414 -0.587 . . . . 71.13 109.414 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.32 40.37 1.78 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 111.366 -0.694 . . . . 53.4 111.366 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.76 108.8 14.73 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.363 1.065 . . . . 73.54 111.39 -176.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -92.59 134.02 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 108.148 -1.056 . . . . 70.04 108.148 164.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 29' ' ' GLN . 58.4 t -126.78 126.91 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.266 0.626 . . . . 74.22 109.437 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 30' ' ' THR . 66.0 t80 -102.17 113.89 27.55 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.879 0.472 . . . . 74.24 110.473 174.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.6 tp -95.97 147.27 23.86 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.116 -1.068 . . . . 74.23 108.116 166.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 43.6 t -154.35 171.66 18.93 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.011 0.524 . . . . 63.33 110.177 175.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.87 -35.25 6.7 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.814 1.246 . . . . 63.43 110.211 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.53 ' HB2' HG12 ' A' ' 13' ' ' ILE . 1.1 m-20 -94.71 130.79 41.07 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 73.41 109.517 -177.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.421 HE21 ' HG3' ' A' ' 15' ' ' GLU . 23.9 tp60 -65.19 -39.9 93.5 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.895 0.878 . . . . 72.14 111.79 178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -50.5 -52.9 34.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.16 0.984 . . . . 64.52 110.952 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 104' ' ' VAL . 32.5 mm -53.7 -50.95 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 CA-C-N 114.298 -1.319 . . . . 64.31 111.944 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 30' ' ' THR . 78.8 mt -54.52 -45.93 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.951 0.9 . . . . 71.05 110.575 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HG3' HE21 ' A' ' 11' ' ' GLN . 43.4 mt-10 -70.5 -31.21 68.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.057 -0.974 . . . . 60.22 111.98 -175.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 72.2 mm-40 -74.29 -38.66 63.32 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.823 0.449 . . . . 72.11 111.982 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG13 HG11 ' A' ' 108' ' ' VAL . 78.9 t -71.19 -36.49 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 122.841 0.456 . . . . 73.43 110.252 177.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -69.6 -35.94 75.75 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.462 0.705 . . . . 70.11 111.116 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -59.87 -51.99 67.35 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.434 1.094 . . . . 62.15 110.633 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 26.0 ttmt -69.96 -33.05 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.699 -0.682 . . . . 62.43 111.09 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -61.9 -37.21 83.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.747 0.419 . . . . 74.42 111.135 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.83 -54.67 17.22 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.981 0.912 . . . . 73.14 110.357 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.86 -37.12 86.21 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.102 0.961 . . . . 74.03 112.357 -176.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -91.36 -9.27 45.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.662 0.785 . . . . 71.55 112.165 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.56 69.63 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.138 0.274 . . . . 52.4 113.498 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.8 m-85 -77.68 135.44 38.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.37 0.668 . . . . 74.3 111.252 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 101.99 7.88 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.465 -0.939 . . . . 64.13 108.465 166.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 21' ' ' ALA . 34.4 mt -135.38 137.28 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 108.831 -0.803 . . . . 64.25 108.831 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.537 ' HG2' HH22 ' A' ' 40' ' ' ARG . 6.7 tp-100 -107.19 114.36 28.35 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.35 -0.982 . . . . 74.33 108.35 171.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 6' ' ' PHE . 26.2 p -96.5 147.23 24.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.815 0.446 . . . . 74.13 110.752 -174.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 37' ' ' ILE . 38.4 t -159.48 166.34 31.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.673 0.789 . . . . 63.21 111.165 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -124.87 -5.67 7.43 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 125.05 1.34 . . . . 61.21 110.741 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -104.51 111.45 24.13 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 121.882 -0.512 . . . . 61.23 110.228 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -57.86 -40.81 81.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.1 0.96 . . . . 61.51 112.163 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -80.26 -23.74 40.59 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.871 0.468 . . . . 74.2 110.708 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.7 tp10 -57.29 -55.73 31.0 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.38 -0.971 . . . . 61.42 108.38 167.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 31' ' ' SER . 40.9 mm -63.8 -45.76 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 113.654 -1.612 . . . . 73.11 112.05 -174.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 ' HG3' ' A' ' 65' ' ' GLN . 87.5 mt -57.15 -41.5 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 124.118 0.967 . . . . 64.3 110.669 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 12.6 t70 -68.74 -33.74 74.44 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 123.708 0.63 . . . . 74.3 110.859 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.537 HH22 ' HG2' ' A' ' 29' ' ' GLN . 19.9 mtp180 -76.88 -29.39 55.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.683 0.793 . . . . 73.53 111.056 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.549 HD23 ' HB ' ' A' ' 46' ' ' ILE . 81.5 mt -64.18 -40.1 95.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.595 0.758 . . . . 44.11 109.352 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.24 -33.68 76.56 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.876 0.87 . . . . 71.12 111.645 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 93.5 mtt180 -71.13 -11.62 61.04 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.536 0.734 . . . . 71.45 111.114 176.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 67.35 20.98 9.89 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.283 1.433 . . . . 70.53 110.493 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -23.9 40.15 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.131 0.972 . . . . 55.24 112.347 -174.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.549 ' HB ' HD23 ' A' ' 41' ' ' LEU . 32.0 mt -100.33 117.16 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 N-CA-C 109.828 -0.434 . . . . 75.01 109.828 -174.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.47 -35.21 17.15 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.2 1.0 . . . . 73.35 111.211 -176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -151.33 144.04 24.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.384 -0.825 . . . . 61.54 109.054 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -142.47 148.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.464 0.706 . . . . 72.14 110.245 -170.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 74' ' ' LEU . 61.4 mt -132.63 120.92 43.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 107.93 -1.137 . . . . 73.01 107.93 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 HG21 ' A' ' 62' ' ' ILE . 58.8 t -117.65 120.01 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.707 0.803 . . . . 63.11 110.624 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.604 ' HG2' HG21 ' A' ' 13' ' ' ILE . 26.9 tptp -106.72 105.11 14.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.603 0.761 . . . . 71.33 109.736 174.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 51' ' ' VAL . 8.8 t -168.68 162.15 11.63 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.334 0.653 . . . . 64.45 110.444 175.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -103.12 -4.77 24.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.691 0.797 . . . . 61.21 111.004 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.4 96.72 4.73 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 109.053 -0.721 . . . . 73.41 109.053 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' HG2' HG23 ' A' ' 82' ' ' ILE . 53.7 mtpt -60.61 -28.36 68.45 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.884 -1.053 . . . . 70.05 112.759 -175.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -65.74 -42.64 90.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.887 0.475 . . . . 63.33 110.481 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -63.9 -52.28 60.61 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.171 0.588 . . . . 74.31 109.709 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 75' ' ' ILE . 75.4 mt -53.45 -47.96 58.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 124.799 1.312 . . . . 74.14 110.886 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -55.0 -54.65 40.31 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.39 1.056 . . . . 72.33 111.073 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.6 -39.77 95.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.681 0.613 . . . . 71.22 112.447 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.562 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -58.8 -55.6 22.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 109.555 -0.535 . . . . 64.12 109.555 175.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 HG13 ' A' ' 75' ' ' ILE . 81.4 mt -60.69 -37.37 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 123.901 0.751 . . . . 55.23 110.943 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -57.0 -47.0 81.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.794 0.684 . . . . 64.45 110.234 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.9 mm100 -75.41 -17.72 60.11 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.786 0.679 . . . . 64.21 112.264 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.591 HG11 ' HB ' ' A' ' 73' ' ' VAL . 93.2 t -77.37 -34.85 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.308 0.643 . . . . 75.35 109.965 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 84.8 mt -70.29 -35.58 73.8 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.447 -0.946 . . . . 74.5 108.447 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 65' ' ' GLN . 11.0 t70 -61.93 -39.76 93.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.769 1.227 . . . . 74.51 110.877 170.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.5 m -76.92 -28.14 55.15 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.99 0.367 . . . . 50.15 111.99 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.55 42.11 93.75 Favored Glycine 0 C--N 1.344 1.018 0 N-CA-C 111.108 -0.797 . . . . 75.25 111.108 -167.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.588 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -105.78 173.57 6.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.632 1.173 . . . . 50.13 110.765 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 140.6 29.52 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.876 -0.787 . . . . 74.05 108.876 174.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.68 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -138.05 133.76 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.511 0.672 . . . . 70.23 111.165 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' A' ' 50' ' ' ILE . 26.7 tp -117.46 124.14 48.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.943 1.297 . . . . 74.13 108.021 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.571 HG13 HD11 ' A' ' 63' ' ' ILE . 48.3 mm -108.02 117.29 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.226 -0.657 . . . . 73.2 109.226 176.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 82.8 mt -108.02 134.29 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.233 -1.025 . . . . 74.12 108.233 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.8 t -155.6 142.1 18.67 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.762 -0.829 . . . . 71.33 108.762 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.5 m -59.19 -36.87 76.12 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.082 0.864 . . . . 65.53 111.216 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' HB3' HD12 ' A' ' 82' ' ' ILE . 20.5 t70 -90.68 122.54 33.54 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.476 0.71 . . . . 72.13 110.744 -174.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.43 -24.67 61.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.307 1.043 . . . . 53.55 112.255 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -71.94 -35.5 69.63 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.782 -0.822 . . . . 75.35 108.782 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' HG12 ' A' ' 86' ' ' ILE . 89.5 mt -67.83 -51.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 O-C-N 124.357 1.036 . . . . 72.53 109.523 173.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 mm -51.12 -48.11 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 72.41 112.212 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.35 -27.69 52.78 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.498 -0.773 . . . . 74.33 111.639 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.8 t -65.74 -40.38 92.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.187 0.517 . . . . 70.35 109.631 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.5 mm -70.5 -32.75 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.988 -1.005 . . . . 65.14 110.647 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -69.96 -44.25 69.88 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.151 0.426 . . . . 71.43 112.151 174.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.36 -32.14 68.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 117.812 0.278 . . . . 63.42 111.214 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.84 -43.45 54.5 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.075 0.55 . . . . 73.24 110.899 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 93' ' ' VAL . 52.3 m-85 -123.3 96.76 43.74 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 123.469 0.708 . . . . 72.1 109.15 -174.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -60.84 -34.08 91.87 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.501 2.134 . . . . 71.32 113.539 177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.86 -12.86 60.04 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.318 1.229 . . . . 50.34 114.318 -171.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.68 HG23 HG13 ' A' ' 73' ' ' VAL . 10.8 p -83.46 139.42 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.572 0.624 . . . . 72.14 110.75 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 4.2 mm-40 -88.83 124.36 34.1 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 107.867 -1.16 . . . . 75.13 107.867 164.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.558 HG22 ' HB ' ' A' ' 75' ' ' ILE . 33.5 p -123.01 162.33 22.56 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.096 -0.705 . . . . 75.1 109.096 177.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -159.74 128.77 5.15 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.675 0.274 . . . . 75.12 110.432 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -61.91 116.86 5.22 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.283 0.989 . . . . 72.34 108.639 170.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.32 102.5 4.82 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.529 -1.285 . . . . 51.33 107.529 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.26 -3.42 50.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.193 -0.912 . . . . 53.33 110.814 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.82 153.87 49.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.548 -0.538 . . . . 65.33 109.548 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -68.3 -26.06 65.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.706 1.202 . . . . 73.24 112.289 -176.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 41.5 mt-10 -67.29 -49.78 62.88 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.063 0.852 . . . . 73.41 109.497 175.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.2 -33.83 71.44 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 114.592 -1.185 . . . . 73.22 112.151 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 13' ' ' ILE . 80.6 t -69.68 -57.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 122.909 0.484 . . . . 71.12 111.229 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.1 pttt -61.93 -34.65 76.46 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.481 0.488 . . . . 73.21 110.991 -175.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -63.57 -46.39 86.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.4 0.68 . . . . 61.52 110.817 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.2 76.99 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.136 0.574 . . . . 73.33 111.004 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 54.9 t -62.22 -52.84 55.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.155 0.982 . . . . 61.42 109.511 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.555 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 86.2 tt0 -56.7 -53.87 52.77 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.969 0.908 . . . . 73.13 111.79 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -35.65 75.64 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.834 0.854 . . . . 63.12 112.223 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.07 -36.63 75.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.106 0.563 . . . . 72.43 110.394 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 63.3 mt -77.67 -31.59 52.66 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.612 0.765 . . . . 75.43 112.325 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 60.4 mttm -68.42 -38.64 81.41 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.006 0.431 . . . . 63.01 110.495 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -85.22 -21.33 29.16 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.616 -0.72 . . . . 74.51 111.528 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.83 -12.51 56.95 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 114.387 0.515 . . . . 44.34 114.387 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.47 36.21 0.05 OUTLIER Glycine 0 C--N 1.345 1.042 0 CA-C-N 117.234 0.517 . . . . 74.11 113.009 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.6 m -151.42 135.2 16.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.541 0.737 . . . . 63.14 109.776 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.21 -179.31 7.01 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.306 0.642 . . . . 60.24 110.868 172.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.18 65.35 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 114.988 -1.006 . . . . 74.14 109.61 163.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.18 -47.19 72.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 124.357 1.063 . . . . 62.33 110.554 166.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -103.75 55.25 0.74 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.597 0.713 . . . . 52.21 109.301 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -62.63 -32.37 73.39 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 114.802 -1.09 . . . . 71.02 110.426 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -141.31 -174.91 4.15 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.657 -1.156 . . . . 74.03 109.072 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -91.98 148.59 22.08 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.728 0.811 . . . . 75.3 109.863 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.2 m170 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 123.262 0.625 . . . . 73.42 110.072 179.301 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 111.623 0.231 . . . . 74.45 111.623 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.92 93.14 0.26 Allowed Glycine 0 C--N 1.35 1.335 0 N-CA-C 110.914 -0.874 . . . . 73.31 110.914 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.06 104.5 3.03 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 123.366 0.666 . . . . 75.32 111.525 -170.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.35 123.52 39.7 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 N-CA-C 107.327 -1.36 . . . . 42.21 107.327 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 29' ' ' GLN . 71.5 t -126.28 124.69 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.362 0.665 . . . . 44.13 109.653 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -99.03 111.32 23.75 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.172 -0.677 . . . . 72.04 109.172 170.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.507 HD13 HG13 ' A' ' 37' ' ' ILE . 61.9 tp -97.28 139.04 33.84 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.499 -0.926 . . . . 63.42 108.499 171.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -162.71 161.65 26.46 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.513 0.725 . . . . 75.23 109.848 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -99.54 -31.89 11.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.514 0.726 . . . . 53.43 109.577 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.42 113.74 17.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.3 -1.318 . . . . 75.11 109.326 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -60.86 -52.26 65.8 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.858 0.863 . . . . 73.13 113.01 -174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.14 -21.28 64.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.768 0.427 . . . . 61.21 111.552 -174.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.606 HG21 ' HG2' ' A' ' 52' ' ' LYS . 24.3 mm -68.02 -51.47 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 123.555 0.742 . . . . 43.24 109.049 171.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.74 -38.72 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.981 0.913 . . . . 74.12 111.359 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.55 -40.25 92.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.672 0.789 . . . . 73.41 111.412 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 8.6 mm-40 -74.49 -32.5 62.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.659 0.784 . . . . 71.02 112.124 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.48 -35.43 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.002 0.521 . . . . 63.24 110.604 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 t -66.86 -35.59 80.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.598 0.759 . . . . 61.11 109.855 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 17.6 tppt? -67.96 -47.64 68.08 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.494 -0.775 . . . . 71.24 110.001 174.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.7 -43.16 89.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.613 0.765 . . . . 72.53 111.221 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -60.08 -46.14 90.56 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.108 -0.951 . . . . 64.12 110.587 176.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.93 -45.49 92.24 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.737 0.815 . . . . 74.01 111.415 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 16.1 mm-40 -60.68 -43.04 98.19 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 64.15 112.187 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 56.4 mm-40 -82.86 -20.27 35.87 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.13 0.419 . . . . 64.43 112.13 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.31 37.6 20.63 Favored Glycine 0 CA--C 1.534 1.243 0 O-C-N 123.185 0.303 . . . . 73.44 113.249 -176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.88 138.34 31.5 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.05 0.94 . . . . 73.0 110.692 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -86.01 86.78 7.35 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.076 -0.712 . . . . 75.32 109.076 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 21' ' ' ALA . 40.1 mt -109.85 125.09 67.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.154 -0.684 . . . . 54.54 109.154 176.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB3' HG22 ' A' ' 5' ' ' VAL . 26.5 tp60 -87.44 109.42 19.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.437 -0.949 . . . . 70.14 108.437 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -95.75 125.42 40.31 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.365 -0.606 . . . . 52.22 109.365 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -142.05 154.4 44.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.932 0.893 . . . . 75.14 110.287 -171.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -110.54 -38.23 5.25 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.114 0.966 . . . . 74.11 110.321 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.23 102.92 8.82 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.937 0.399 . . . . 73.32 110.246 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -69.09 -25.97 64.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.682 0.793 . . . . 74.0 111.762 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -62.19 -39.72 93.64 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.59 0.756 . . . . 61.42 110.884 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 36.5 tt0 -59.86 -48.66 80.78 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 115.171 -0.922 . . . . 73.02 109.8 172.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.507 HG13 HD13 ' A' ' 7' ' ' LEU . 46.0 mm -64.56 -38.32 82.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 114.44 -1.255 . . . . 75.54 112.145 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HG3' ' A' ' 65' ' ' GLN . 93.5 mt -59.01 -42.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.175 0.99 . . . . 75.45 110.002 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 27.7 t70 -70.07 -32.85 71.15 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.886 -1.052 . . . . 62.24 110.889 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 19.3 mtp180 -73.68 -31.5 63.47 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.636 0.374 . . . . 50.01 110.673 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -67.72 -32.6 73.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.064 0.546 . . . . 72.14 109.939 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.76 -36.61 84.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.89 0.476 . . . . 75.05 111.022 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 83.5 mtt180 -71.6 -12.56 61.42 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.415 0.686 . . . . 71.31 111.056 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 65.07 19.56 11.84 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.78 1.232 . . . . 71.52 109.224 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -68.18 -30.62 69.76 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.051 1.74 . . . . 71.03 111.548 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' HB ' ' A' ' 49' ' ' ILE . 41.5 mt -101.43 120.53 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.433 0.693 . . . . 42.4 109.712 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -81.01 -42.21 21.5 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.949 0.499 . . . . 73.33 110.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ptm -148.84 139.01 22.3 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.456 -0.793 . . . . 72.41 109.418 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' HB ' HG21 ' A' ' 46' ' ' ILE . 10.4 tt -137.94 146.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.241 0.616 . . . . 64.44 110.805 -169.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 108' ' ' VAL . 69.0 mt -130.12 113.5 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 124.533 1.133 . . . . 65.03 108.401 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 62' ' ' ILE . 47.0 t -108.82 111.37 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.696 0.798 . . . . 72.54 109.895 -176.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.606 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.9 tptp -101.34 109.62 21.49 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.827 -0.805 . . . . 72.43 108.827 173.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 77' ' ' SER . 8.5 t -155.1 -176.4 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.453 -0.943 . . . . 74.35 108.453 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -139.98 22.21 2.45 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.07 0.548 . . . . 65.31 110.078 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.45 114.42 22.85 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.138 -0.69 . . . . 70.1 109.138 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 82' ' ' ILE . 35.4 mtmm -58.72 -36.67 74.67 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.959 1.304 . . . . 73.41 113.497 -174.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.1 -30.63 60.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.734 0.414 . . . . 72.31 111.095 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -68.5 -44.8 73.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.997 0.519 . . . . 73.02 109.784 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 75' ' ' ILE . 91.9 mt -56.42 -49.94 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 114.586 -1.188 . . . . 72.12 110.215 176.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -57.82 -43.04 85.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.527 -1.215 . . . . 63.44 111.741 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -60.87 -47.78 84.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.932 0.493 . . . . 73.21 111.798 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -61.23 -48.16 90.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 123.494 0.497 . . . . 61.33 109.996 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 56.0 mt -55.25 -47.78 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.743 0.652 . . . . 71.31 110.791 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.73 -46.99 74.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.133 0.973 . . . . 71.22 111.558 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' HG3' HG23 ' A' ' 38' ' ' ILE . 14.7 mm100 -64.18 -41.03 97.29 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 123.969 0.793 . . . . 75.03 111.412 177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 71' ' ' ALA . 69.2 t -69.42 -34.74 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.662 0.785 . . . . 73.04 111.452 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 81.1 mt -64.25 -41.57 96.89 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.228 -0.656 . . . . 73.4 109.228 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.89 -40.87 91.97 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.422 -1.263 . . . . 75.23 111.304 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -87.76 -12.74 44.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.816 0.446 . . . . 72.21 112.044 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.5 77.93 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 123.584 0.553 . . . . 73.22 113.596 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -82.57 166.15 19.48 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.278 0.631 . . . . 43.14 110.396 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -86.34 138.03 32.13 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.039 -1.097 . . . . 72.24 108.039 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.826 HG13 HG23 ' A' ' 93' ' ' VAL . 4.3 p -140.38 135.14 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 121.218 0.532 . . . . 72.4 111.205 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 HD11 ' A' ' 118' ' ' LEU . 18.1 tp -116.98 117.9 30.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.875 1.27 . . . . 73.41 108.427 172.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 59' ' ' ILE . 40.0 mm -96.56 111.75 27.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 124.109 0.964 . . . . 75.44 109.356 174.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -105.05 127.62 52.96 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.015 0.926 . . . . 75.13 108.669 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' THR . 22.6 m -136.31 143.55 44.23 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.309 -0.626 . . . . 54.43 109.309 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 m -79.36 11.68 2.82 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.55 0.74 . . . . 75.21 112.105 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.11 133.81 25.19 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.302 0.572 . . . . 71.44 110.968 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.01 -35.61 78.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.776 1.23 . . . . 75.24 112.188 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -70.28 -37.58 74.87 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 56' ' ' LYS . 62.4 mt -63.91 -48.9 84.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 115.482 -0.781 . . . . 53.22 109.65 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 31.6 mm -56.42 -42.46 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 123.335 0.397 . . . . 75.33 110.783 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -59.41 -46.01 89.9 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.543 0.737 . . . . 74.34 111.801 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 p -68.55 -36.59 79.01 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.289 -0.414 . . . . 22.52 111.28 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 82' ' ' ILE . 48.5 mm -71.34 -29.85 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 122.452 0.301 . . . . 74.54 110.485 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 30.3 mtm180 -68.85 -45.09 71.98 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.809 0.444 . . . . 70.11 111.666 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.62 -36.88 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.524 0.194 . . . . 61.21 111.524 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -73.13 -44.99 59.43 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.172 0.51 . . . . 75.43 110.884 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.422 ' O ' HG12 ' A' ' 93' ' ' VAL . 35.9 m-85 -127.83 92.09 43.37 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 108.748 -0.834 . . . . 63.13 108.748 -177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.13 -20.07 15.02 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 121.951 1.767 . . . . 74.13 112.977 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.83 -15.48 41.79 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.259 0.836 . . . . 75.11 113.259 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG23 HG13 ' A' ' 73' ' ' VAL . 7.2 p -78.38 141.17 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 CA-C-N 118.422 0.556 . . . . 53.44 109.971 175.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.36 113.98 12.21 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.266 -0.642 . . . . 74.14 109.266 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 75' ' ' ILE . 54.3 p -119.68 136.88 54.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.242 0.617 . . . . 62.21 109.717 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.699 HH11 ' HB2' ' A' ' 107' ' ' ALA . 43.9 ttt180 -144.97 129.54 18.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.721 -0.844 . . . . 63.31 108.721 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.78 120.14 17.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.999 -0.741 . . . . 63.41 108.999 174.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.59 118.15 8.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.501 -1.296 . . . . 60.32 107.501 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.65 -59.19 1.78 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.403 0.62 . . . . 75.12 109.464 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.55 157.01 24.94 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.763 -1.108 . . . . 64.01 110.246 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 21.1 pttp -55.89 -34.95 66.0 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.327 1.451 . . . . 53.22 112.916 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 10.2 pt-20 -70.87 -39.61 72.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 123.677 0.61 . . . . 73.42 110.616 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.95 -34.15 76.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.531 0.732 . . . . 63.35 111.287 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 13' ' ' ILE . 69.5 t -74.77 -51.5 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.949 -0.569 . . . . 72.22 110.976 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 64.9 pttt -64.57 -34.14 77.56 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.205 0.315 . . . . 74.43 111.313 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.28 -43.54 88.02 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.805 1.242 . . . . 73.1 111.549 171.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.699 ' HB2' HH11 ' A' ' 96' ' ' ARG . . . -66.97 -38.44 86.07 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.645 0.778 . . . . 74.1 111.501 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 79.2 t -62.35 -55.03 26.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 123.932 0.893 . . . . 72.35 110.582 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.96 -41.79 71.55 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.494 1.118 . . . . 62.21 111.346 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.76 -47.78 74.05 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.974 0.91 . . . . 72.24 111.461 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -58.41 -37.82 76.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.636 1.174 . . . . 73.13 111.09 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.2 mt -77.63 -44.05 29.49 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.935 -1.03 . . . . 73.34 112.451 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.5 -32.71 70.3 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 111.965 0.358 . . . . 52.13 111.965 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -90.06 22.69 3.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.027 0.531 . . . . 55.12 110.937 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.45 -78.64 1.83 Allowed Glycine 0 C--N 1.353 1.494 0 N-CA-C 112.305 -0.318 . . . . 75.43 112.305 173.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.56 48.53 0.57 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 111.521 -0.631 . . . . 73.33 111.521 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 65.6 p -161.97 156.48 22.38 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.214 0.605 . . . . 71.42 111.371 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.468 HD11 HD22 ' A' ' 74' ' ' LEU . 1.6 mp -121.58 89.79 3.19 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 106.153 -1.795 . . . . 75.41 106.153 164.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.82 98.86 0.96 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 108.567 -0.901 . . . . 75.14 108.567 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -52.04 -34.89 45.3 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 124.903 1.281 . . . . 72.43 112.633 -166.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -115.41 100.96 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 106.722 -1.584 . . . . 74.2 106.722 165.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -71.79 -156.92 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.358 1.063 . . . . 74.54 111.479 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -52.34 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.111 0.964 . . . . 74.52 111.697 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -142.78 15.28 1.95 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.515 1.526 . . . . 75.31 109.114 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 124.297 1.039 . . . . 75.11 109.065 174.215 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.999 -0.371 . . . . 52.54 109.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.74 89.04 0.07 OUTLIER Glycine 0 C--N 1.35 1.347 0 N-CA-C 111.847 -0.501 . . . . 74.11 111.847 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.651 ' H ' ' HB3' ' A' ' 47' ' ' ASP . 53.4 tptt -150.63 93.26 1.94 Allowed 'General case' 0 C--O 1.24 0.567 0 N-CA-C 107.63 -1.248 . . . . 73.42 107.63 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 t -88.36 119.54 35.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.888 -1.153 . . . . 75.0 107.888 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 29' ' ' GLN . 89.2 t -122.24 111.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 108.797 -0.816 . . . . 74.42 108.797 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 30' ' ' THR . 79.7 t80 -89.41 109.77 20.65 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 173.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.593 ' HB3' HG22 ' A' ' 51' ' ' VAL . 61.0 tp -94.4 140.87 29.25 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.83 -1.174 . . . . 73.34 107.83 170.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 45.5 t -151.46 164.57 36.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.37 -0.604 . . . . 73.05 109.37 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 2.96 12.99 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.807 0.843 . . . . 70.42 109.269 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -126.7 121.72 32.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.734 1.214 . . . . 63.45 109.114 -167.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -65.06 -55.77 16.9 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.1 1.148 . . . . 74.35 114.1 -172.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.76 -38.72 56.64 Favored 'General case' 0 N--CA 1.499 2.017 0 C-N-CA 123.698 0.799 . . . . 43.41 111.619 -176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.675 HD12 HG21 ' A' ' 104' ' ' VAL . 40.6 mm -55.28 -55.51 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 113.975 -1.466 . . . . 73.25 111.214 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.28 -37.17 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.614 1.166 . . . . 65.1 111.179 -176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -65.42 -37.69 87.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.161 0.984 . . . . 74.51 110.772 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 12.7 mm-40 -80.0 -37.57 33.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.091 -0.959 . . . . 43.55 112.19 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.37 -35.4 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.832 0.453 . . . . 73.22 110.239 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -70.08 -32.42 70.49 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.571 0.748 . . . . 74.21 110.5 175.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -60.97 -54.72 41.49 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.526 0.73 . . . . 73.22 109.915 172.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -56.12 -44.95 79.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.525 1.13 . . . . 73.4 111.301 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -66.06 -37.92 87.05 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.132 -0.94 . . . . 75.14 111.731 -177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.7 -49.48 46.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.738 0.415 . . . . 73.11 110.809 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.56 -50.13 72.79 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.76 0.824 . . . . 61.41 111.662 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -83.35 -14.72 52.25 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.576 -0.738 . . . . 54.5 111.839 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.93 18.57 72.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.254 0.346 . . . . 41.51 113.526 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -67.27 121.5 15.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.715 0.806 . . . . 75.32 110.25 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.47 105.9 10.05 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.983 -0.747 . . . . 72.25 108.983 172.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 21' ' ' ALA . 53.5 mt -133.69 126.32 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 124.121 0.969 . . . . 74.5 109.113 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HB3' HG22 ' A' ' 5' ' ' VAL . 21.5 tp60 -83.1 108.83 16.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.087 -0.709 . . . . 74.21 109.087 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 21.4 p -98.16 126.63 43.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.394 -0.595 . . . . 63.35 109.394 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 m -150.27 165.25 33.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.921 0.888 . . . . 71.14 110.354 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m120 -116.79 -22.12 8.71 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.9 0.88 . . . . 62.33 110.552 173.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.2 m-20 -68.63 86.07 0.31 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.367 0.667 . . . . 74.11 109.736 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -32.88 73.21 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.92 0.488 . . . . 72.22 109.723 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -62.24 -42.32 99.21 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.435 1.094 . . . . 64.43 111.495 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 26.8 tt0 -65.08 -45.6 84.59 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 123.872 0.732 . . . . 64.5 110.063 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 33' ' ' ASP . 37.2 mm -68.96 -37.13 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.62 -0.263 . . . . 64.31 111.363 -173.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HE3' ' A' ' 42' ' ' LYS . 96.4 mt -60.14 -40.12 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 124.11 0.964 . . . . 74.35 109.492 171.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 13.9 t70 -63.91 -37.61 88.02 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.67 1.188 . . . . 75.2 111.233 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 25.6 mtp180 -77.07 -28.96 54.85 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.726 0.81 . . . . 71.03 110.853 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD23 ' HB ' ' A' ' 46' ' ' ILE . 79.6 mt -68.95 -33.14 73.22 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.901 0.88 . . . . 35.3 110.258 171.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HE3' HG22 ' A' ' 38' ' ' ILE . 99.0 mttt -66.2 -32.49 73.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.412 0.685 . . . . 73.32 110.614 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 77.4 mtt180 -74.54 -9.67 58.8 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.498 0.719 . . . . 72.51 111.125 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 65.96 17.72 10.88 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.028 1.331 . . . . 74.02 110.8 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.26 -26.66 47.29 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.53 1.132 . . . . 74.04 111.579 -168.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HB ' HD23 ' A' ' 41' ' ' LEU . 53.8 mt -91.56 124.9 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 115.134 -0.939 . . . . 74.25 109.463 -170.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.651 ' HB3' ' H ' ' A' ' 3' ' ' LYS . 13.9 t70 -87.14 -38.82 16.08 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.161 0.984 . . . . 61.4 110.22 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.414 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 12.5 ptp -151.03 146.2 26.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.971 -1.013 . . . . 73.01 109.436 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 7.0 tt -140.15 140.93 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.622 0.769 . . . . 71.14 109.23 -174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG21 HG22 ' A' ' 108' ' ' VAL . 46.8 mt -129.27 111.88 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.361 -0.977 . . . . 74.03 108.361 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.593 HG22 ' HB3' ' A' ' 7' ' ' LEU . 46.1 t -111.45 117.19 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.441 0.697 . . . . 53.15 111.051 -174.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HG2' HG21 ' A' ' 13' ' ' ILE . 24.3 tptp -101.84 109.56 21.34 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.9 0.88 . . . . 52.44 108.941 169.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -166.56 157.04 12.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.546 0.738 . . . . 73.44 109.343 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -93.59 -6.96 45.38 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.793 0.837 . . . . 72.43 109.928 173.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.04 94.09 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 107.881 -1.155 . . . . 71.23 107.881 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -57.05 -33.13 66.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.921 1.289 . . . . 74.02 112.965 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -75.08 -32.02 61.37 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.191 0.596 . . . . 72.22 110.687 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 t -63.01 -54.12 43.33 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.53 -0.915 . . . . 71.54 108.53 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -53.21 -48.79 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.926 1.391 . . . . 74.01 110.612 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.6 t -54.15 -55.84 23.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 73.45 111.454 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 42.7 mm-40 -62.52 -43.32 99.09 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.755 0.66 . . . . 65.1 111.802 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.504 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -53.6 -56.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 O-C-N 123.958 0.787 . . . . 65.4 110.029 176.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.5 mt -60.7 -40.83 86.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 124.045 0.84 . . . . 73.43 110.395 -174.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -54.04 -47.88 71.12 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.808 0.843 . . . . 72.12 110.952 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm100 -62.39 -42.17 99.22 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.646 0.591 . . . . 73.53 110.559 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.54 HG13 ' HB3' ' A' ' 71' ' ' ALA . 81.3 t -62.97 -38.28 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.751 1.22 . . . . 74.41 111.571 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 77.6 mt -67.1 -29.52 69.29 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.632 0.773 . . . . 61.11 110.945 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.61 -41.5 23.85 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.466 -0.788 . . . . 75.21 110.584 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.2 m -78.88 -12.66 60.04 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.031 0.752 . . . . 54.42 113.031 -169.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.77 52.51 28.87 Favored Glycine 0 C--N 1.348 1.221 0 N-CA-C 111.644 -0.583 . . . . 50.12 111.644 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -124.75 171.45 10.1 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.347 1.059 . . . . 34.43 110.182 -175.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' HA2' ' A' ' 116' ' ' GLY . 3.5 mppt? -96.16 149.22 21.88 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.555 -0.906 . . . . 75.22 108.555 174.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.582 HG13 HG23 ' A' ' 93' ' ' VAL . 5.8 p -142.3 131.95 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.13 0.572 . . . . 44.41 110.357 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 94' ' ' GLU . 45.9 tp -120.11 117.68 28.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.712 1.205 . . . . 73.35 108.48 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 63' ' ' ILE . 46.5 mm -106.22 123.22 60.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 123.204 0.602 . . . . 72.3 109.673 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 mt -117.63 132.96 56.42 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.999 1.319 . . . . 72.41 107.86 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.0 t -156.87 151.53 25.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.704 . . . . 72.11 109.12 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.3 p -95.64 9.7 39.35 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.249 1.02 . . . . 72.14 111.515 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 82' ' ' ILE . 16.6 t70 -118.81 128.53 54.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.842 0.457 . . . . 75.44 110.607 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.82 -51.24 66.43 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.88 1.272 . . . . 72.43 112.234 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -62.57 -37.36 85.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.639 0.775 . . . . 72.31 110.179 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 86' ' ' ILE . 71.1 mt -68.23 -55.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 115.192 -0.913 . . . . 71.25 110.315 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 29.1 mm -51.3 -48.97 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 123.961 0.788 . . . . 64.13 110.475 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -57.8 -48.72 78.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.239 0.962 . . . . 74.11 111.585 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.472 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 69.4 m -56.02 -45.52 79.09 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.923 0.764 . . . . 75.42 110.937 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.532 HG22 HG11 ' A' ' 93' ' ' VAL . 23.4 mm -66.64 -34.28 69.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 CA-C-N 115.496 -0.775 . . . . 74.53 111.191 -175.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 60.0 mtm180 -67.03 -55.83 12.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 120.868 0.366 . . . . 70.34 110.771 177.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 60.5 pttt -72.41 -24.34 61.22 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.11 -0.496 . . . . 73.35 112.182 -170.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -80.49 -42.08 23.16 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.077 0.551 . . . . 71.5 111.128 173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' VAL . 68.2 m-85 -120.6 108.23 37.65 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 123.063 0.545 . . . . 73.43 110.548 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.42 -29.01 11.61 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.573 2.182 . . . . 64.45 113.318 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -78.47 -15.24 58.84 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.179 0.807 . . . . 74.15 113.179 -175.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.582 HG23 HG13 ' A' ' 73' ' ' VAL . 11.2 p -81.39 137.02 21.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.648 0.261 . . . . 63.24 110.726 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 66.0 mm-40 -85.92 129.44 34.83 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 107.604 -1.258 . . . . 63.11 107.604 162.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 75' ' ' ILE . 72.0 p -122.83 154.08 38.73 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.949 -0.76 . . . . 62.31 108.949 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' HB2' ' A' ' 107' ' ' ALA . 69.6 ttt180 -151.37 122.88 7.9 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.319 -1.363 . . . . 75.44 107.319 170.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -66.15 125.15 24.62 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.584 -0.895 . . . . 72.44 108.584 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.15 104.12 4.58 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.497 -0.927 . . . . 53.31 108.497 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -88.83 -20.82 24.17 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 114.815 -1.084 . . . . 55.32 109.859 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -106.31 136.56 45.82 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.578 0.751 . . . . 72.12 109.628 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 13' ' ' ILE . 43.9 pttt -61.59 -20.54 63.43 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.973 1.309 . . . . 71.33 111.906 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 22.5 mt-10 -65.4 -47.08 77.53 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.457 1.103 . . . . 63.23 109.411 172.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -70.3 -30.39 67.37 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.093 -1.412 . . . . 51.32 112.34 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.675 HG21 HD12 ' A' ' 13' ' ' ILE . 86.3 t -66.72 -54.42 25.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 122.893 0.477 . . . . 64.14 110.313 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 65.2 pttt -65.3 -32.48 74.16 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.113 0.258 . . . . 75.53 111.507 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.9 -42.69 99.87 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.763 0.825 . . . . 64.41 110.662 173.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.519 ' HB2' ' HD3' ' A' ' 96' ' ' ARG . . . -63.61 -38.9 92.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.539 0.736 . . . . 61.25 111.251 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 50' ' ' ILE . 85.5 t -61.52 -51.31 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.3 1.04 . . . . 72.33 110.587 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HG2' ' HE3' ' A' ' 113' ' ' LYS . 43.2 tt0 -61.06 -47.07 88.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.563 0.745 . . . . 75.5 111.256 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -67.71 -27.38 66.76 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.72 0.808 . . . . 71.02 111.552 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 72' ' ' LYS . 47.5 t80 -69.86 -38.51 76.45 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.221 1.008 . . . . 75.14 109.37 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 99.1 mt -79.35 -29.71 42.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.878 -1.056 . . . . 60.13 113.042 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' A' ' 109' ' ' GLU . 98.9 mttt -66.62 -36.57 82.9 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.984 0.513 . . . . 74.44 110.794 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.87 -22.17 37.06 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.209 -0.905 . . . . 75.42 110.17 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.34 34.85 91.02 Favored Glycine 0 C--N 1.356 1.681 0 O-C-N 123.858 0.724 . . . . 64.53 112.996 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.451 ' HA2' ' HG2' ' A' ' 72' ' ' LYS . . . 170.1 -120.81 0.88 Allowed Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.157 -1.177 . . . . 62.33 110.157 -175.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -58.76 159.46 6.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.8 0.84 . . . . 64.31 112.018 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.97 -26.16 63.97 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 120.693 0.282 . . . . 74.32 111.3 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.62 147.72 43.26 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.43 0.633 . . . . 74.42 111.253 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -131.49 -0.1 4.0 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.198 0.999 . . . . 74.45 109.587 165.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -154.41 118.4 4.71 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.24 1.816 . . . . 64.04 107.336 168.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -70.11 81.9 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.487 -0.931 . . . . 64.1 108.487 168.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -176.74 101.89 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.282 -1.327 . . . . 73.01 109.096 -169.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -90.59 -58.86 2.34 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 106.708 -1.59 . . . . 74.05 106.708 158.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.247 0.933 0 N-CA-C 106.492 -1.67 . . . . 73.03 106.492 166.112 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.264 -0.273 . . . . 62.15 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.63 64.33 3.11 Favored Glycine 0 C--N 1.351 1.406 0 N-CA-C 111.849 -0.5 . . . . 72.43 111.849 -175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 110.04 4.86 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.934 0.494 . . . . 70.31 110.848 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -100.2 125.71 53.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 115.327 -0.852 . . . . 51.3 109.461 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' GLN . 80.4 t -127.24 117.75 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.587 -0.894 . . . . 21.14 108.587 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB3' HG22 ' A' ' 30' ' ' THR . 63.9 t80 -89.75 147.01 24.09 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.344 0.592 . . . . 74.52 110.367 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HB3' HG22 ' A' ' 51' ' ' VAL . 58.4 tp -136.59 133.09 35.97 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.954 1.301 . . . . 60.43 108.053 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.6 t -144.87 151.38 38.64 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.705 -0.85 . . . . 72.31 108.705 172.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -85.62 -11.73 53.19 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 123.741 0.651 . . . . 64.53 109.639 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.45 139.17 51.25 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.863 0.865 . . . . 64.55 111.091 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -65.99 -43.85 86.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.022 1.329 . . . . 70.23 112.99 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.75 -34.51 78.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.618 0.367 . . . . 73.42 110.638 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' A' ' 52' ' ' LYS . 42.7 mm -65.51 -45.04 93.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.399 -0.819 . . . . 71.42 110.034 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.489 HG23 ' HB ' ' A' ' 30' ' ' THR . 76.9 mt -52.98 -45.31 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.578 1.151 . . . . 75.41 110.609 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.14 -29.48 62.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.662 0.785 . . . . 74.22 112.381 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' A' ' 101' ' ' LYS . 48.9 mm-40 -70.55 -42.03 71.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.036 0.534 . . . . 73.33 111.428 176.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 HG11 ' A' ' 108' ' ' VAL . 89.2 t -74.97 -33.66 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.61 0.764 . . . . 71.32 110.79 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 t -64.18 -37.67 88.29 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.433 0.693 . . . . 73.03 109.884 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.0 tppp? -64.83 -49.06 72.11 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.826 -0.624 . . . . 74.31 109.873 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HD3' ' HB2' ' A' ' 109' ' ' GLU . 1.3 tpmt? -55.57 -37.93 68.7 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.673 0.789 . . . . 71.03 111.116 178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.56 85.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.976 -1.011 . . . . 74.0 111.083 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.54 -46.23 80.34 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.446 0.466 . . . . 65.41 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 8.0 mm-40 -56.28 -47.32 78.84 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.748 0.819 . . . . 74.52 112.342 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' HE2' ' A' ' 20' ' ' LYS . 48.3 mm-40 -93.5 -14.19 26.94 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.685 0.624 . . . . 71.13 112.685 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.43 32.31 31.35 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 122.058 -0.115 . . . . 71.2 113.173 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 112' ' ' LEU . 23.4 m-85 -88.76 133.78 34.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.233 1.013 . . . . 71.12 110.126 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -84.5 91.31 7.82 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.069 0.938 . . . . 71.22 108.866 169.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.75 103.78 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 109.078 -0.712 . . . . 71.2 109.078 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.5 tp-100 -76.31 112.8 13.19 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.839 -0.8 . . . . 75.22 108.839 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.489 ' HB ' HG23 ' A' ' 14' ' ' ILE . 53.8 p -97.87 150.17 21.59 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.978 0.511 . . . . 64.34 110.299 -175.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -154.51 162.43 41.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.441 0.696 . . . . 71.32 110.433 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -105.58 -30.06 9.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.13 0.972 . . . . 64.01 110.19 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.08 104.18 15.44 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.331 0.586 . . . . 65.34 110.139 -173.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -63.73 -27.55 69.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.687 1.195 . . . . 71.25 112.47 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -68.36 -41.22 80.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.28 0.632 . . . . 72.21 111.123 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -42.91 99.36 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.374 1.07 . . . . 72.2 109.919 177.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.99 -37.43 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 114.726 -1.124 . . . . 64.11 111.117 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 65' ' ' GLN . 66.6 mt -56.3 -44.57 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.328 0.651 . . . . 75.11 109.909 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 38.3 t70 -66.86 -33.27 75.23 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.708 -0.678 . . . . 64.04 111.466 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -71.28 -34.32 70.56 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 75.25 111.181 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.01 -32.56 73.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.331 0.652 . . . . 70.42 110.45 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 9.5 mtpm? -65.96 -30.64 71.24 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.86 0.864 . . . . 70.0 110.939 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 88.0 mtt180 -80.92 -13.9 58.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.281 0.632 . . . . 71.21 110.77 173.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.558 ' HG3' ' HB2' ' A' ' 69' ' ' SER . 55.0 ttt-85 62.33 21.89 12.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.519 1.527 . . . . 73.33 111.032 -173.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.73 -24.5 63.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 71.13 111.422 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.442 HG21 ' HB ' ' A' ' 49' ' ' ILE . 32.0 mt -97.25 125.36 50.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 108.411 -0.959 . . . . 75.31 108.411 -175.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -78.29 -46.53 19.98 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.792 0.806 . . . . 74.23 109.987 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 11.1 ptm -145.84 129.87 17.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.253 -1.339 . . . . 72.24 109.255 -174.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.5 tt -131.66 147.27 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.054 0.942 . . . . 70.04 109.655 -169.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 108' ' ' VAL . 51.4 mt -131.11 126.13 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.99 -1.115 . . . . 62.34 107.99 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 62' ' ' ILE . 66.2 t -122.14 111.59 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.237 0.615 . . . . 74.22 109.716 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HG2' HG21 ' A' ' 13' ' ' ILE . 44.6 tptt -101.37 110.36 22.35 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.009 -0.738 . . . . 74.32 109.009 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -171.41 160.8 6.18 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.601 0.761 . . . . 71.44 109.615 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -97.26 -4.61 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.843 0.857 . . . . 71.12 109.782 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.65 93.35 0.7 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.924 -0.769 . . . . 54.43 108.924 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HE2' HG12 ' A' ' 82' ' ' ILE . 95.2 mttt -54.54 -32.16 57.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.618 1.167 . . . . 74.43 112.654 -174.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.69 -41.25 79.45 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.542 0.737 . . . . 74.35 110.758 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -63.55 -52.43 61.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.12 0.568 . . . . 51.42 109.507 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.439 HG23 HD12 ' A' ' 75' ' ' ILE . 91.5 mt -51.68 -57.18 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 114.464 -1.244 . . . . 74.02 110.642 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.5 t -59.64 -48.91 79.79 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 124.091 0.87 . . . . 43.31 111.557 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 44.1 mt-10 -60.99 -47.95 84.08 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.314 0.646 . . . . 53.34 111.578 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.5 -47.01 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.521 0.513 . . . . 73.01 110.076 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 HG13 ' A' ' 75' ' ' ILE . 99.3 mt -57.86 -44.9 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 123.607 0.567 . . . . 72.45 110.918 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 60' ' ' SER . 94.0 mttt -55.03 -42.6 72.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.244 0.618 . . . . 74.12 110.479 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.543 ' HG3' HG23 ' A' ' 38' ' ' ILE . 16.2 mm100 -72.23 -32.55 66.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.841 -1.072 . . . . 65.53 111.918 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG11 ' HB ' ' A' ' 73' ' ' VAL . 59.1 t -79.17 -26.77 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 122.672 0.389 . . . . 63.45 110.477 179.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 92.7 mt -70.4 -41.83 72.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.012 -0.736 . . . . 71.1 109.012 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.8 -41.31 92.09 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.956 -1.02 . . . . 72.11 111.273 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.558 ' HB2' ' HG3' ' A' ' 44' ' ' ARG . 77.9 p -79.88 -22.91 42.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.281 0.232 . . . . 71.25 110.857 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.41 33.02 80.72 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.486 -0.324 . . . . 62.14 112.316 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -91.81 -174.83 3.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.729 0.812 . . . . 74.42 110.902 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 137.46 37.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.173 -0.677 . . . . 74.13 109.173 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.69 HG13 HG23 ' A' ' 93' ' ' VAL . 7.5 p -141.15 139.51 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.041 0.536 . . . . 73.34 111.547 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 107' ' ' ALA . 43.8 tp -118.92 116.91 27.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.344 1.058 . . . . 74.11 108.938 173.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 63' ' ' ILE . 41.1 mm -95.77 120.68 45.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.988 0.915 . . . . 64.42 109.576 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 104' ' ' VAL . 88.3 mt -115.37 120.56 40.01 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.324 1.05 . . . . 72.14 108.567 178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m -142.2 140.63 32.41 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.128 -1.064 . . . . 52.13 108.128 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 m -69.98 -32.93 71.4 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.32 0.648 . . . . 54.35 110.622 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.54 121.97 29.0 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.119 -0.946 . . . . 61.42 111.143 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.45 -30.75 71.78 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.511 1.124 . . . . 74.14 113.148 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -71.56 -32.17 67.79 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.669 -0.493 . . . . 62.34 109.669 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.439 HG12 ' HE2' ' A' ' 56' ' ' LYS . 79.9 mt -67.53 -53.84 28.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 C-N-CA 123.373 0.669 . . . . 60.44 109.218 173.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 38.2 mm -52.82 -46.15 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.928 0.767 . . . . 75.2 110.486 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.14 -51.32 70.51 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.647 0.779 . . . . 65.15 111.348 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.3 m -54.95 -43.49 73.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.905 0.753 . . . . 75.23 111.633 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.514 HG22 HG11 ' A' ' 93' ' ' VAL . 45.1 mm -71.8 -32.07 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-N 115.266 -0.879 . . . . 73.0 110.779 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 50.9 mtm180 -72.74 -46.8 51.61 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.361 0.264 . . . . 73.44 111.175 176.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.78 -31.25 61.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.571 0.349 . . . . 72.41 111.768 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -85.53 -44.78 12.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.827 0.451 . . . . 64.22 110.669 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 93' ' ' VAL . 21.8 m-85 -114.75 96.3 43.76 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.538 -0.912 . . . . 62.33 108.538 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.73 -37.91 19.62 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.111 1.874 . . . . 53.3 112.741 177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -76.09 -2.33 30.33 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.214 1.19 . . . . 74.41 114.214 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 73' ' ' VAL . 13.8 p -89.2 147.79 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.054 0.388 . . . . 52.11 110.712 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 2.2 mp0 -85.51 121.11 27.74 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.126 -1.064 . . . . 74.25 108.126 166.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 75' ' ' ILE . 70.8 p -119.59 156.46 30.32 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.588 -0.523 . . . . 64.4 109.588 171.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 103' ' ' GLU . 53.0 ttt-85 -156.17 127.63 7.18 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 107.049 -1.463 . . . . 62.22 107.049 170.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -63.9 118.14 7.98 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.954 -1.128 . . . . 73.44 107.954 171.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.15 105.03 6.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.979 -1.489 . . . . 74.04 106.979 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.86 -60.34 2.14 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.996 0.81 . . . . 63.24 109.006 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.48 158.85 15.81 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.845 -0.616 . . . . 74.45 110.28 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.568 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 23.8 pttm -53.24 -31.11 41.76 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.158 1.783 . . . . 74.32 112.726 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.657 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.1 pt-20 -65.48 -44.99 85.39 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.413 0.445 . . . . 73.42 109.964 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HH12 ' A' ' 96' ' ' ARG . 33.5 mt-10 -64.19 -28.72 69.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.459 -0.791 . . . . 53.22 111.672 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . 60.3 t -68.26 -58.62 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.745 -0.661 . . . . 73.54 109.932 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 102' ' ' GLU . 62.0 pttt -66.98 -33.88 76.54 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.777 0.673 . . . . 64.32 111.689 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 69.6 m-20 -56.89 -53.15 61.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.894 0.478 . . . . 64.25 110.395 169.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 74' ' ' LEU . . . -61.45 -32.0 71.97 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.916 0.887 . . . . 74.45 111.597 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 46.6 t -61.67 -51.35 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.909 0.883 . . . . 62.12 110.161 174.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.536 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 27.9 tt0 -60.4 -43.04 97.08 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.825 0.703 . . . . 71.21 109.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 106' ' ' ASP . 19.9 mm-40 -59.29 -47.7 84.4 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.695 0.798 . . . . 61.24 110.635 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 48' ' ' MET . 70.5 t80 -59.09 -43.07 91.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.645 1.178 . . . . 71.31 111.16 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 21.7 mt -76.95 -38.11 53.96 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.63 -0.714 . . . . 64.13 112.183 -175.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -68.12 -35.57 78.33 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.742 0.417 . . . . 74.33 110.837 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.39 -17.05 56.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.775 -0.648 . . . . 73.4 111.367 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.56 15.72 81.07 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.366 -0.379 . . . . 55.22 112.962 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.29 -96.42 0.18 Allowed Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.13 -0.788 . . . . 40.41 111.13 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.5 t -64.58 110.28 2.28 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 122.667 0.387 . . . . 53.41 111.432 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.1 mp -67.37 177.22 1.97 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.277 0.631 . . . . 73.12 110.494 176.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -84.52 30.47 0.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.547 0.739 . . . . 65.4 110.767 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -74.8 78.8 2.09 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 122.308 1.052 . . . . 64.52 109.765 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -61.6 136.28 57.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.656 -1.156 . . . . 64.2 109.857 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -59.65 142.72 52.38 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.028 0.83 . . . . 70.15 111.171 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -54.73 -35.19 63.43 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.617 0.767 . . . . 71.41 111.277 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -152.39 158.37 42.57 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.858 1.263 . . . . 75.03 108.801 169.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 67.8 t60 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 118.86 -0.59 . . . . 64.01 109.931 178.417 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 mtt . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.054 -0.721 . . . . 72.51 109.054 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.84 153.24 6.58 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.344 -0.844 . . . . 74.42 111.178 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 46' ' ' ILE . 2.0 tpmt? -173.45 89.41 0.08 Allowed 'General case' 0 C--O 1.242 0.684 0 N-CA-C 107.118 -1.438 . . . . 73.54 107.118 175.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 112' ' ' LEU . 14.5 t -85.6 118.74 32.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.82 -1.178 . . . . 74.45 107.82 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 37' ' ' ILE . 87.9 t -121.64 119.74 59.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.28 -0.637 . . . . 50.21 109.28 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -94.7 130.92 41.02 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 171.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -126.45 127.09 44.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.572 -1.27 . . . . 71.41 107.572 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -152.62 152.58 31.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.048 0.452 . . . . 63.4 110.062 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.44 -24.83 24.04 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.089 -0.96 . . . . 70.52 109.708 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.11 135.1 34.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.44 1.096 . . . . 73.32 110.184 -171.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -67.34 -58.53 4.63 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.101 1.148 . . . . 74.3 114.101 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.01 -35.55 78.89 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 118.142 0.428 . . . . 74.03 111.312 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.665 HD12 HG21 ' A' ' 104' ' ' VAL . 38.9 mm -51.61 -53.44 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 O-C-N 124.599 1.187 . . . . 74.05 111.321 173.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.8 -39.03 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.145 0.578 . . . . 70.11 110.568 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.69 -39.21 93.28 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.563 0.745 . . . . 64.13 112.08 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 35.3 mm-40 -72.67 -42.6 64.11 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.668 0.787 . . . . 72.44 111.731 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG13 HG11 ' A' ' 108' ' ' VAL . 70.1 t -68.55 -37.59 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.779 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -60.71 -45.01 95.84 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.742 0.817 . . . . 71.21 110.532 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 4.2 tppp? -63.88 -54.46 34.53 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.069 0.856 . . . . 74.44 110.255 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -48.81 72.95 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.299 0.999 . . . . 75.23 111.223 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.97 75.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.144 -0.935 . . . . 72.33 111.267 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.34 -41.51 93.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.732 0.813 . . . . 65.41 111.428 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 32.8 mm-40 -63.93 -38.44 91.11 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.296 0.638 . . . . 73.42 111.34 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.31 -10.3 58.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.106 0.563 . . . . 72.24 112.303 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.26 69.58 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 114.613 0.605 . . . . 54.42 114.613 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -75.38 123.8 26.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.889 0.476 . . . . 75.03 110.051 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.04 98.13 11.59 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.686 -0.857 . . . . 75.22 108.686 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.513 HD11 HD11 ' A' ' 112' ' ' LEU . 28.6 mt -105.11 128.06 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.411 0.684 . . . . 74.12 109.354 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG22 ' A' ' 5' ' ' VAL . 30.0 tp60 -75.7 108.34 8.48 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.456 -0.942 . . . . 71.42 108.456 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.39 139.05 34.72 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.164 0.586 . . . . 72.34 109.647 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -154.03 161.59 41.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.532 0.733 . . . . 61.34 111.0 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -114.28 -35.98 4.82 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.681 1.193 . . . . 74.03 109.619 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.32 99.31 7.05 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 122.199 0.999 . . . . 71.35 109.488 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -65.64 -18.97 65.72 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 114.783 -1.098 . . . . 73.05 112.702 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -56.44 -38.52 71.73 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.464 0.706 . . . . 74.05 111.347 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.8 -46.83 70.82 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.245 0.618 . . . . 61.32 110.531 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 HG11 ' A' ' 5' ' ' VAL . 25.3 mm -71.73 -46.16 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.807 -1.088 . . . . 75.4 112.188 -169.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 65' ' ' GLN . 68.2 mt -55.28 -39.2 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.42 1.088 . . . . 70.22 110.377 173.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.25 -41.7 89.58 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.167 -0.924 . . . . 74.35 110.958 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -76.8 -23.68 52.84 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.733 0.413 . . . . 73.12 111.374 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' ' 46' ' ' ILE . 96.7 mt -61.87 -47.85 83.16 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.29 -0.633 . . . . 65.14 109.29 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.15 -28.26 69.93 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.952 0.901 . . . . 73.2 112.182 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -83.25 -9.05 59.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.189 0.596 . . . . 71.44 111.962 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 63.09 21.18 12.73 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.906 1.283 . . . . 74.44 111.28 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.78 -21.83 43.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.169 0.988 . . . . 63.13 111.076 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 3' ' ' LYS . 59.0 mt -93.86 130.56 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 123.331 0.652 . . . . 63.2 109.451 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' LYS . 14.6 t70 -90.55 -44.59 9.47 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.457 0.703 . . . . 71.12 109.817 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -148.35 136.29 20.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.507 -0.77 . . . . 71.23 109.497 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 4.7 tt -134.02 133.73 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.742 0.817 . . . . 75.25 109.177 -173.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 HG22 ' A' ' 108' ' ' VAL . 64.5 mt -119.57 116.12 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.612 -1.255 . . . . 74.0 107.612 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 62' ' ' ILE . 26.0 t -108.37 133.79 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.663 0.785 . . . . 74.1 109.716 -175.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HG2' HG21 ' A' ' 13' ' ' ILE . 25.7 tptp -123.08 106.76 11.08 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.462 -0.94 . . . . 74.14 108.462 170.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 t -157.25 144.82 18.84 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.076 -1.083 . . . . 75.42 108.076 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -92.06 4.62 52.69 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.492 0.717 . . . . 62.4 109.852 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -92.46 101.19 13.64 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.272 -0.64 . . . . 73.44 109.272 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 82' ' ' ILE . 14.6 ptmm? -60.17 -25.98 65.96 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.306 1.043 . . . . 70.35 113.519 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -75.1 -39.95 60.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.713 0.405 . . . . 73.11 110.927 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.2 p -72.52 -37.6 68.31 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.955 -0.387 . . . . 74.3 109.955 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 75' ' ' ILE . 80.6 mt -54.42 -50.98 53.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 O-C-N 123.812 0.695 . . . . 75.35 109.714 172.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.3 t -53.74 -45.9 70.69 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.455 1.097 . . . . 72.21 111.109 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -58.51 -51.38 70.1 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.614 0.766 . . . . 70.22 111.98 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 HG21 ' A' ' 51' ' ' VAL . 1.8 mp -55.4 -50.54 64.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 123.558 0.536 . . . . 74.1 110.304 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD11 HG13 ' A' ' 75' ' ' ILE . 67.6 mt -60.46 -40.02 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 123.5 0.5 . . . . 64.01 110.956 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.5 -39.83 89.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.187 0.595 . . . . 74.45 110.543 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 38' ' ' ILE . 8.6 mm100 -80.85 -17.04 52.03 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.805 -0.634 . . . . 73.43 111.763 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 94.7 t -83.91 -25.41 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 C-N-CA 123.492 0.717 . . . . 71.25 110.047 170.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.0 mt -74.68 -31.59 61.96 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.705 -0.85 . . . . 75.5 108.705 171.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.89 -42.8 66.36 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.434 -0.803 . . . . 74.32 111.43 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 66' ' ' VAL . 77.6 p -77.24 -49.57 14.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.136 0.493 . . . . 53.21 111.749 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.48 29.12 12.67 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 114.84 -1.073 . . . . 51.21 111.467 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.75 169.67 15.91 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.369 0.668 . . . . 72.34 111.184 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 143.1 29.44 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 108.212 -1.033 . . . . 75.32 108.212 166.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 93' ' ' VAL . 7.6 p -144.24 140.45 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 122.872 0.469 . . . . 74.13 111.656 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.38 117.56 25.48 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.368 1.067 . . . . 71.13 108.557 171.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 HD11 ' A' ' 63' ' ' ILE . 27.5 mm -94.2 124.3 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 123.446 0.698 . . . . 74.3 109.975 175.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -122.7 123.47 41.18 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.188 1.395 . . . . 73.31 107.49 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 t -138.77 150.21 45.85 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.959 -0.756 . . . . 33.14 108.959 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.9 m -83.34 11.02 7.33 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.369 0.668 . . . . 73.42 112.174 -175.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -139.89 126.79 20.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.768 0.827 . . . . 62.33 109.336 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 97' ' ' ARG . 12.4 pt-20 -74.86 -24.2 58.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.976 0.91 . . . . 45.44 113.156 -175.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.14 -30.75 49.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 109.181 -0.674 . . . . 54.23 109.181 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 56' ' ' LYS . 58.2 mt -68.33 -48.88 71.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 CA-C-N 114.83 -1.077 . . . . 71.13 109.402 171.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.635 HG21 ' HE1' ' A' ' 123' ' ' HIS . 28.2 mm -56.22 -43.0 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 123.482 0.489 . . . . 52.45 110.438 175.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.43 -44.81 89.29 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 124.004 0.922 . . . . 73.0 111.042 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.536 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 38.4 t -62.83 -43.13 99.62 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 114.926 -1.034 . . . . 72.15 111.23 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 82' ' ' ILE . 33.1 mm -65.58 -31.37 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.712 0.805 . . . . 71.0 110.774 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 81.1 mtm180 -73.99 -44.26 55.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.104 0.562 . . . . 71.34 111.918 177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 85' ' ' SER . 65.4 pttt -68.29 -36.83 79.96 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.866 0.104 . . . . 74.11 111.075 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.61 -46.24 39.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.474 0.71 . . . . 74.4 110.625 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -128.77 93.6 36.96 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.011 0.925 . . . . 65.13 109.257 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.73 -19.35 14.44 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.371 2.047 . . . . 74.2 113.218 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -72.0 -23.81 61.47 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.508 0.929 . . . . 73.22 113.508 -176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 73' ' ' VAL . 4.5 p -83.07 137.24 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 122.542 0.337 . . . . 72.43 111.828 -174.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.82 113.3 4.79 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 108.522 -0.918 . . . . 74.32 108.522 168.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.432 ' HB ' HG23 ' A' ' 83' ' ' ILE . 24.9 p -116.51 144.47 44.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.39 0.676 . . . . 73.14 109.722 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -158.33 131.0 7.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.957 -1.127 . . . . 73.45 107.957 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 80' ' ' GLU . 41.6 ttp180 -72.75 133.02 44.35 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 108.571 -0.9 . . . . 75.14 108.571 173.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.47 106.01 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.488 -1.301 . . . . 73.44 107.488 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -99.59 -47.97 4.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.195 0.998 . . . . 54.42 108.365 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.71 143.87 43.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.266 -1.334 . . . . 55.1 109.472 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 49.8 pttt -67.65 -26.18 66.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.718 0.807 . . . . 75.24 111.189 177.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 9.2 pt-20 -70.22 -40.32 74.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.614 0.766 . . . . 70.44 110.985 171.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.74 -35.73 77.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.7 0.8 . . . . 73.41 111.739 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 13' ' ' ILE . 65.0 t -70.94 -53.53 21.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 O-C-N 123.458 0.474 . . . . 63.35 110.646 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.568 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 65.0 pttt -65.62 -35.74 81.67 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 111.9 0.333 . . . . 64.21 111.9 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.15 -46.68 87.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.35 1.06 . . . . 72.3 111.605 170.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.27 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.537 0.735 . . . . 74.25 111.644 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 50' ' ' ILE . 62.1 t -64.94 -56.89 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.261 -0.881 . . . . 73.13 110.092 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -52.71 -43.87 65.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.093 0.957 . . . . 61.43 111.701 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.68 -42.73 81.65 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.308 -0.86 . . . . 72.21 110.99 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -63.16 -32.51 73.92 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.073 0.949 . . . . 61.25 110.986 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.513 HD11 HD11 ' A' ' 28' ' ' ILE . 81.7 mt -76.09 -46.59 28.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.513 1.125 . . . . 74.23 111.35 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.03 -25.29 63.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.172 0.589 . . . . 73.31 112.03 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -92.76 18.61 8.62 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 65.15 110.943 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.37 -71.94 2.73 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 123.272 0.463 . . . . 64.33 112.124 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -164.55 44.72 0.3 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 110.752 -0.939 . . . . 74.11 110.752 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -157.56 168.81 26.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 74.32 109.286 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.25 166.24 11.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.832 0.853 . . . . 61.25 108.967 168.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.72 81.14 0.28 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 122.001 0.905 . . . . 74.23 110.272 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 57.2 32.17 21.27 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.129 -1.396 . . . . 73.33 111.363 -175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 40.04 77.85 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.367 1.467 . . . . 72.43 111.904 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -69.5 134.92 49.46 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.185 -0.916 . . . . 73.51 112.204 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.635 ' HE1' HG21 ' A' ' 83' ' ' ILE . 12.1 m170 -126.47 163.61 22.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.441 1.496 . . . . 71.12 108.691 171.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -82.83 -52.14 7.01 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.812 -1.181 . . . . 74.41 107.812 164.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 108.13 -1.063 . . . . 64.44 108.13 167.779 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptp . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 119.93 -0.081 . . . . 53.22 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.16 113.15 5.5 Favored Glycine 0 C--N 1.357 1.718 0 O-C-N 123.667 0.604 . . . . 74.33 112.219 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.47 116.59 6.91 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.315 0.646 . . . . 73.53 110.532 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 48' ' ' MET . 5.2 t -96.66 131.88 42.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.23 -1.026 . . . . 63.43 108.23 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.577 HG11 HD12 ' A' ' 37' ' ' ILE . 65.3 t -131.67 121.9 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 109.006 -0.739 . . . . 54.24 109.006 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HD1' ' HB ' ' A' ' 50' ' ' ILE . 59.2 t80 -97.11 106.45 18.78 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.597 -0.52 . . . . 71.23 109.597 175.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.513 HD13 HG13 ' A' ' 37' ' ' ILE . 58.6 tp -94.34 139.95 30.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.834 -1.173 . . . . 44.52 107.834 170.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -151.29 170.22 20.04 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.608 0.718 . . . . 74.11 111.398 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.57 -33.46 11.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.73 1.612 . . . . 62.11 110.696 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -123.13 144.16 49.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.001 0.52 . . . . 73.24 111.628 -172.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.22 -45.65 72.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.914 1.286 . . . . 74.44 112.777 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.71 -24.22 67.55 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.084 0.554 . . . . 64.33 111.394 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.628 HG21 ' HG2' ' A' ' 52' ' ' LYS . 43.0 mm -70.32 -52.72 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-N 114.993 -1.003 . . . . 71.34 109.135 173.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.4 -42.0 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.044 1.338 . . . . 70.24 111.896 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.87 -43.87 97.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.165 0.986 . . . . 73.11 111.305 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 105' ' ' LYS . 11.0 mm-40 -70.51 -39.81 73.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.724 0.81 . . . . 64.2 112.104 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 108' ' ' VAL . 58.9 t -65.71 -43.07 93.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 123.243 0.617 . . . . 70.11 111.233 175.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.5 t -64.81 -35.9 82.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.909 0.884 . . . . 64.44 110.65 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 3.9 tppp? -63.35 -48.79 76.49 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.067 0.547 . . . . 75.13 110.248 175.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -41.87 83.96 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.362 0.665 . . . . 74.45 111.063 176.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' HD12 ' A' ' 28' ' ' ILE . . . -65.21 -35.71 81.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.663 0.785 . . . . 74.51 111.605 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.16 -53.04 15.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.126 0.57 . . . . 73.13 110.301 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 31.9 mm-40 -57.7 -37.84 74.2 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.069 0.856 . . . . 63.51 112.505 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -90.5 -20.37 22.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 111.95 0.352 . . . . 75.51 111.95 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 30.9 27.83 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.091 0.396 . . . . 31.4 114.091 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -85.04 149.04 25.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.52 0.728 . . . . 62.41 110.377 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -96.58 87.22 4.32 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.771 0.829 . . . . 64.32 109.141 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.589 HD12 ' HB2' ' A' ' 21' ' ' ALA . 16.6 mt -112.96 108.38 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 115.846 -0.615 . . . . 75.13 109.87 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 5' ' ' VAL . 6.2 tp-100 -78.28 118.09 20.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.688 -0.856 . . . . 60.11 108.688 174.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p -98.28 135.56 39.73 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.439 0.696 . . . . 75.14 109.976 -175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -147.93 157.06 43.33 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.531 0.732 . . . . 75.11 110.778 -174.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.61 -12.78 10.28 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.812 1.245 . . . . 74.45 109.651 174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -97.54 104.1 16.09 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.547 0.739 . . . . 73.34 109.996 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -68.47 -26.39 65.47 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.781 0.832 . . . . 73.13 112.298 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.89 -41.25 95.68 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 123.549 0.531 . . . . 74.31 110.748 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.3 tt0 -62.47 -50.82 69.9 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.192 -0.913 . . . . 70.14 109.77 174.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.577 HD12 HG11 ' A' ' 5' ' ' VAL . 41.7 mm -63.35 -43.94 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.622 1.169 . . . . 71.34 112.678 -169.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 65' ' ' GLN . 73.5 mt -54.36 -45.34 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.856 1.263 . . . . 72.43 110.545 174.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.16 -33.23 75.51 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.462 -1.244 . . . . 75.04 110.893 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 26.5 mtp180 -75.56 -36.27 60.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.627 0.771 . . . . 74.34 111.058 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.11 -39.84 87.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.364 0.666 . . . . 65.13 110.557 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -57.56 -38.83 75.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 123.719 0.637 . . . . 55.25 111.557 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -79.92 -12.77 59.71 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.035 0.934 . . . . 75.52 112.574 -172.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 61.74 30.07 18.27 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 123.953 0.783 . . . . 63.55 109.836 -166.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 19.5 t-20 -71.66 -27.11 62.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.631 -1.168 . . . . 74.45 109.798 176.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.402 HG21 ' HB ' ' A' ' 49' ' ' ILE . 27.6 mt -115.81 129.32 72.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.837 1.255 . . . . 73.24 108.897 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.67 -32.55 13.33 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.281 0.633 . . . . 74.12 111.433 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.2 ptm -150.09 129.86 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.644 0.735 . . . . 72.35 109.402 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HB ' HG21 ' A' ' 46' ' ' ILE . 4.1 tt -133.69 146.17 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.426 1.091 . . . . 65.3 109.195 -168.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.421 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 55.2 mt -129.2 123.53 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.333 -0.988 . . . . 51.35 108.333 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 62' ' ' ILE . 58.9 t -117.33 111.46 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.477 0.711 . . . . 63.43 109.869 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 13' ' ' ILE . 45.9 tptt -99.59 106.91 18.93 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.94 -0.763 . . . . 63.13 108.94 173.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.429 HG22 HG12 ' A' ' 51' ' ' VAL . 10.7 t -166.52 159.56 14.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.02 0.928 . . . . 74.33 109.473 173.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -101.24 -6.66 23.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.596 0.758 . . . . 72.5 110.816 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -77.35 105.44 8.47 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.586 -0.894 . . . . 75.43 108.586 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -58.07 -33.45 69.06 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.36 1.464 . . . . 74.53 111.92 -172.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.05 -31.18 50.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.658 0.783 . . . . 74.24 111.578 -177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -66.85 -47.91 70.45 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.126 0.571 . . . . 74.11 109.498 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -56.05 -50.64 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 114.009 -1.451 . . . . 72.03 109.893 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -55.06 -51.31 66.75 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 124.517 1.135 . . . . 64.25 111.734 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 61.4 mm-40 -61.54 -45.86 92.36 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.82 0.7 . . . . 75.33 112.128 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 51' ' ' VAL . 1.7 mp -57.88 -49.56 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 123.397 0.435 . . . . 72.23 110.303 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.525 HD11 HG13 ' A' ' 75' ' ' ILE . 80.5 mt -59.83 -42.06 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 O-C-N 123.805 0.691 . . . . 62.23 110.593 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -57.67 -40.78 80.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.839 0.856 . . . . 74.14 110.96 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' HG23 ' A' ' 38' ' ' ILE . 12.3 mm100 -70.44 -35.36 73.33 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.708 -0.678 . . . . 73.22 111.145 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 ' HB3' ' A' ' 71' ' ' ALA . 74.7 t -77.59 -30.78 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 75.23 111.738 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 96.5 mt -67.01 -36.6 82.51 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.307 -0.627 . . . . 73.2 109.307 175.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -78.34 -41.62 32.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.526 -1.216 . . . . 62.35 111.775 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -77.87 -40.45 40.02 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.938 0.495 . . . . 63.23 110.606 -176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.05 44.8 4.03 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 115.76 -0.654 . . . . 72.5 112.473 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB3' HG13 ' A' ' 66' ' ' VAL . . . -99.69 174.01 6.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.282 0.633 . . . . 53.41 110.091 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -94.67 133.51 38.27 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 107.281 -1.377 . . . . 73.44 107.281 168.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.707 HG13 HG23 ' A' ' 93' ' ' VAL . 6.5 p -131.85 126.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.024 0.375 . . . . 52.31 110.43 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.414 ' HB3' HG12 ' A' ' 50' ' ' ILE . 56.1 tp -108.37 109.87 21.29 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 123.999 0.92 . . . . 72.54 108.908 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 95' ' ' THR . 45.8 mm -91.93 116.04 32.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 123.771 0.829 . . . . 74.11 109.115 175.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 92.4 mt -110.32 125.56 53.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.232 1.013 . . . . 65.21 108.364 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 t -145.54 151.56 38.33 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.988 -0.745 . . . . 62.21 108.988 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -74.87 -35.84 62.31 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.901 0.48 . . . . 70.15 111.304 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -88.43 127.26 35.5 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.27 0.557 . . . . 64.41 110.441 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' ' 97' ' ' ARG . 12.6 pt-20 -74.03 -18.29 60.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.957 -1.019 . . . . 54.21 111.725 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -82.32 -28.6 31.54 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.741 -0.466 . . . . 71.13 109.741 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 86' ' ' ILE . 75.6 mt -65.4 -54.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 N-CA-C 108.449 -0.945 . . . . 71.21 108.449 168.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 33.3 mm -50.99 -46.96 30.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 O-C-N 124.441 1.088 . . . . 72.25 110.655 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.23 -45.37 91.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.668 0.787 . . . . 74.52 111.208 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -61.66 -38.27 87.15 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.09 0.556 . . . . 42.32 110.942 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.54 HG22 HG11 ' A' ' 93' ' ' VAL . 46.5 mm -70.66 -29.78 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 123.103 0.561 . . . . 74.35 110.682 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 83' ' ' ILE . 41.6 mtm180 -73.02 -37.02 67.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.73 0.412 . . . . 74.55 111.676 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.41 -37.72 31.63 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 111.682 0.252 . . . . 74.31 111.682 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.11 -45.82 66.11 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.913 0.485 . . . . 70.51 110.432 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' O ' HG12 ' A' ' 93' ' ' VAL . 22.9 m-85 -125.21 93.15 45.92 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.414 -0.958 . . . . 74.03 108.414 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -65.6 -29.34 52.29 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 C-N-CA 121.71 1.606 . . . . 51.1 113.913 174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -80.96 -2.15 46.6 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 113.655 0.983 . . . . 72.4 113.655 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.707 HG23 HG13 ' A' ' 73' ' ' VAL . 11.3 p -82.46 147.94 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.166 0.439 . . . . 64.33 110.242 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -87.55 120.0 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.472 -1.307 . . . . 74.41 107.472 165.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 p -123.19 150.68 43.05 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.383 0.673 . . . . 61.42 109.248 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -158.32 126.01 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.652 -1.24 . . . . 72.24 107.652 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' HB3' ' A' ' 80' ' ' GLU . 66.6 ttt180 -67.17 118.31 10.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.42 -0.585 . . . . 73.04 109.42 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . . . -137.72 105.85 5.72 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 107.247 -1.39 . . . . 55.32 107.247 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.94 -55.94 3.43 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.711 0.632 . . . . 73.14 109.897 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -96.22 159.22 15.07 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.778 -1.101 . . . . 63.02 109.472 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.37 -30.16 64.64 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.789 1.236 . . . . 64.4 112.437 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 8.2 pt-20 -62.27 -48.68 78.85 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.557 0.743 . . . . 73.24 110.523 177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.55 -36.63 83.25 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.869 0.868 . . . . 72.22 111.41 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.8 t -67.41 -53.85 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 123.785 0.678 . . . . 65.14 110.755 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' A' ' 16' ' ' GLU . 58.4 pttt -63.33 -33.87 76.47 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.573 0.546 . . . . 55.04 111.32 -175.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -63.74 -45.49 89.63 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.417 0.687 . . . . 75.35 111.389 172.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.94 85.53 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.432 0.693 . . . . 63.03 111.38 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 17' ' ' VAL . 72.1 t -62.51 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 124.099 0.96 . . . . 63.41 110.333 176.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -53.37 -48.29 68.71 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.93 0.892 . . . . 74.22 111.001 177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.38 -18.9 58.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.384 1.074 . . . . 75.3 111.926 -176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.413 ' HB2' HD22 ' A' ' 74' ' ' LEU . 65.9 t80 -71.57 -39.49 70.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.429 -0.582 . . . . 61.14 109.429 173.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 28' ' ' ILE . 59.1 mt -80.07 -48.91 12.51 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.008 -0.996 . . . . 70.41 112.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -73.66 -34.22 64.82 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.056 0.543 . . . . 64.31 112.269 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -85.43 -13.4 49.39 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.041 0.136 . . . . 73.43 110.661 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.41 79.42 0.71 Allowed Glycine 0 C--N 1.355 1.625 0 O-C-N 123.419 0.449 . . . . 63.44 113.465 171.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 76.37 -72.84 1.88 Allowed Glycine 0 C--N 1.348 1.235 0 O-C-N 123.942 0.437 . . . . 44.34 112.514 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 p -73.49 106.52 5.32 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.191 -0.67 . . . . 63.34 109.191 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.1 mp -64.79 -47.41 78.22 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 122.086 0.946 . . . . 72.01 109.632 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -128.23 169.75 13.81 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 114.312 -1.313 . . . . 64.2 108.562 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -163.13 0.82 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 108.202 -1.036 . . . . 62.4 108.202 166.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -64.96 109.67 2.19 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 108.183 -1.043 . . . . 61.23 108.183 167.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -79.76 68.59 5.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.357 1.063 . . . . 71.43 110.28 -167.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -139.35 159.61 41.75 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.52 1.128 . . . . 72.32 109.92 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -126.63 21.02 7.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.456 1.102 . . . . 74.21 109.335 170.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 . . . . . 0 C--O 1.251 1.156 0 N-CA-C 107.316 -1.365 . . . . 62.21 107.316 177.248 . . . . . . . . 0 0 . 1 stop_ save_